 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_M11-def2SVPDr.in
 Output=15_2carene_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/15_2carene_STD/Gau-28592.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28593.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=15_2carene_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 14:22:12 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 14:22:13 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Fri Jul 23 14:22:13 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 14:22:14 2021, MaxMem= 10737418240 cpu:              14.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.50D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 23 14:22:15 2021, MaxMem= 10737418240 cpu:               8.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 14:22:15 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 14:22:16 2021, MaxMem= 10737418240 cpu:               8.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737166926 LenY= 10737045381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.109017345572    
 DIIS: error= 4.07D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.109017345572     IErMin= 1 ErrMin= 4.07D-03
 ErrMax= 4.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-02 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.07D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.03D-02 MaxDP=7.41D-01              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.35D-03    CP:  1.22D+00
 E= -390.123305283629     Delta-E=       -0.014287938057 Rises=F Damp=F
 DIIS: error= 4.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.123305283629     IErMin= 2 ErrMin= 4.30D-04
 ErrMax= 4.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-04 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.30D-03
 Coeff-Com: -0.980D-01 0.110D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.976D-01 0.110D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=2.04D-03 MaxDP=1.52D-01 DE=-1.43D-02 OVMax= 4.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.89D-04    CP:  1.27D+00  1.17D+00
 E= -390.123858942083     Delta-E=       -0.000553658455 Rises=F Damp=F
 DIIS: error= 1.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.123858942083     IErMin= 3 ErrMin= 1.20D-04
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-05 BMatP= 2.82D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.20D-03
 Coeff-Com: -0.259D-01 0.125D+00 0.901D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.259D-01 0.125D+00 0.901D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.90D-04 MaxDP=1.60D-02 DE=-5.54D-04 OVMax= 1.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  1.27D+00  1.19D+00  1.04D+00
 E= -390.123886218541     Delta-E=       -0.000027276458 Rises=F Damp=F
 DIIS: error= 4.86D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.123886218541     IErMin= 4 ErrMin= 4.86D-05
 ErrMax= 4.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-06 BMatP= 2.25D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.590D-03-0.549D-01 0.221D+00 0.833D+00
 Coeff:      0.590D-03-0.549D-01 0.221D+00 0.833D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.38D-05 MaxDP=1.87D-03 DE=-2.73D-05 OVMax= 4.97D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.11D-05    CP:  1.27D+00  1.19D+00  1.08D+00  1.01D+00
 E= -390.123890163182     Delta-E=       -0.000003944641 Rises=F Damp=F
 DIIS: error= 1.96D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.123890163182     IErMin= 5 ErrMin= 1.96D-05
 ErrMax= 1.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-07 BMatP= 3.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.187D-02-0.243D-01 0.435D-02 0.264D+00 0.754D+00
 Coeff:      0.187D-02-0.243D-01 0.435D-02 0.264D+00 0.754D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=2.64D-04 DE=-3.94D-06 OVMax= 1.61D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.89D-06    CP:  1.27D+00  1.19D+00  1.08D+00  1.04D+00  1.00D+00
 E= -390.123890552238     Delta-E=       -0.000000389056 Rises=F Damp=F
 DIIS: error= 4.52D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.123890552238     IErMin= 6 ErrMin= 4.52D-06
 ErrMax= 4.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-08 BMatP= 3.38D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.351D-03-0.194D-02-0.135D-01-0.121D-02 0.151D+00 0.866D+00
 Coeff:      0.351D-03-0.194D-02-0.135D-01-0.121D-02 0.151D+00 0.866D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.28D-06 MaxDP=2.51D-04 DE=-3.89D-07 OVMax= 5.21D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.64D-06    CP:  1.27D+00  1.19D+00  1.09D+00  1.05D+00  1.07D+00
                    CP:  1.12D+00
 E= -390.123890578476     Delta-E=       -0.000000026238 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.123890578476     IErMin= 7 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-09 BMatP= 1.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-03 0.231D-02-0.323D-02-0.280D-01-0.469D-01 0.188D+00
 Coeff-Com:  0.888D+00
 Coeff:     -0.128D-03 0.231D-02-0.323D-02-0.280D-01-0.469D-01 0.188D+00
 Coeff:      0.888D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=4.36D-05 DE=-2.62D-08 OVMax= 2.78D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.71D-07    CP:  1.27D+00  1.19D+00  1.08D+00  1.05D+00  1.08D+00
                    CP:  1.20D+00  1.09D+00
 E= -390.123890581639     Delta-E=       -0.000000003163 Rises=F Damp=F
 DIIS: error= 4.50D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.123890581639     IErMin= 8 ErrMin= 4.50D-07
 ErrMax= 4.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-10 BMatP= 1.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.533D-04 0.675D-03 0.618D-04-0.665D-02-0.223D-01-0.210D-01
 Coeff-Com:  0.213D+00 0.836D+00
 Coeff:     -0.533D-04 0.675D-03 0.618D-04-0.665D-02-0.223D-01-0.210D-01
 Coeff:      0.213D+00 0.836D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.14D-07 MaxDP=1.33D-05 DE=-3.16D-09 OVMax= 7.58D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.49D-07    CP:  1.27D+00  1.19D+00  1.09D+00  1.05D+00  1.08D+00
                    CP:  1.22D+00  1.14D+00  1.18D+00
 E= -390.123890581867     Delta-E=       -0.000000000228 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.123890581867     IErMin= 9 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-11 BMatP= 1.48D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.432D-05-0.210D-04 0.333D-03 0.767D-03-0.211D-02-0.267D-01
 Coeff-Com: -0.201D-01 0.265D+00 0.783D+00
 Coeff:     -0.432D-05-0.210D-04 0.333D-03 0.767D-03-0.211D-02-0.267D-01
 Coeff:     -0.201D-01 0.265D+00 0.783D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.61D-07 MaxDP=1.23D-05 DE=-2.28D-10 OVMax= 4.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.83D-08    CP:  1.27D+00  1.19D+00  1.09D+00  1.05D+00  1.09D+00
                    CP:  1.23D+00  1.16D+00  1.26D+00  1.17D+00
 E= -390.123890581935     Delta-E=       -0.000000000068 Rises=F Damp=F
 DIIS: error= 4.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.123890581935     IErMin=10 ErrMin= 4.60D-08
 ErrMax= 4.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-12 BMatP= 2.03D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.492D-05-0.891D-04 0.111D-03 0.111D-02 0.225D-02-0.666D-02
 Coeff-Com: -0.335D-01-0.214D-01 0.280D+00 0.778D+00
 Coeff:      0.492D-05-0.891D-04 0.111D-03 0.111D-02 0.225D-02-0.666D-02
 Coeff:     -0.335D-01-0.214D-01 0.280D+00 0.778D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=5.55D-08 MaxDP=2.17D-06 DE=-6.76D-11 OVMax= 9.50D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.47D-08    CP:  1.27D+00  1.19D+00  1.09D+00  1.05D+00  1.09D+00
                    CP:  1.23D+00  1.16D+00  1.28D+00  1.27D+00  1.14D+00
 E= -390.123890581930     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.86D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.123890581935     IErMin=11 ErrMin= 1.86D-08
 ErrMax= 1.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-13 BMatP= 3.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-05-0.206D-04-0.532D-05 0.185D-03 0.797D-03 0.107D-02
 Coeff-Com: -0.546D-02-0.336D-01-0.571D-02 0.138D+00 0.905D+00
 Coeff:      0.173D-05-0.206D-04-0.532D-05 0.185D-03 0.797D-03 0.107D-02
 Coeff:     -0.546D-02-0.336D-01-0.571D-02 0.138D+00 0.905D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.66D-08 MaxDP=5.95D-07 DE= 4.89D-12 OVMax= 5.05D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.62D-09    CP:  1.27D+00  1.19D+00  1.09D+00  1.05D+00  1.09D+00
                    CP:  1.23D+00  1.16D+00  1.29D+00  1.31D+00  1.21D+00
                    CP:  1.16D+00
 E= -390.123890581947     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 6.94D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -390.123890581947     IErMin=12 ErrMin= 6.94D-09
 ErrMax= 6.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-14 BMatP= 1.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.239D-06 0.683D-05-0.150D-04-0.110D-03-0.117D-03 0.111D-02
 Coeff-Com:  0.349D-02-0.594D-02-0.345D-01-0.897D-01 0.261D+00 0.865D+00
 Coeff:     -0.239D-06 0.683D-05-0.150D-04-0.110D-03-0.117D-03 0.111D-02
 Coeff:      0.349D-02-0.594D-02-0.345D-01-0.897D-01 0.261D+00 0.865D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=7.11D-09 MaxDP=4.74D-07 DE=-1.76D-11 OVMax= 1.56D-07

 SCF Done:  E(RM11) =  -390.123890582     A.U. after   12 cycles
            NFock= 12  Conv=0.71D-08     -V/T= 2.0132
 KE= 3.850581881691D+02 PE=-1.998091205614D+03 EE= 6.740751601962D+02
 Leave Link  502 at Fri Jul 23 14:24:36 2021, MaxMem= 10737418240 cpu:            2218.7 elap:             139.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.49616046D+02

 Leave Link  801 at Fri Jul 23 14:24:36 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 3.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.18D-01 3.55D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 1.87D-02 4.55D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.41D-03 6.96D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 9.35D-05 1.49D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 7.86D-06 4.17D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 2.74D-07 7.78D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 6.55D-09 1.19D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.25D-10 1.38D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 2.94D-12 2.72D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 5.26D-14 2.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143206D+03
      2 -0.524043D+01  0.110802D+03
      3 -0.255312D+01  0.133876D+01  0.997528D+02
 Isotropic polarizability for W=    0.085645      117.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.390903D+02 -0.111078D+02  0.101455D+02
      2   0.512086D+01  0.982618D+01 -0.189107D+02
      3   0.339694D+02  0.128158D+01  0.876514D+01
      4  -0.327355D+02 -0.191406D+02 -0.922308D+01
      5   0.175376D+02 -0.115136D+02  0.303013D+02
      6   0.343925D+01 -0.299887D+01 -0.718912D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.421033D+01  0.800418D+00  0.119370D+01
      2   0.251657D+02 -0.554659D+01  0.801288D+01
      3  -0.182400D+02  0.965300D+01  0.806635D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.229056D+01  0.159118D+02  0.847070D+01
      2  -0.739210D+01 -0.126623D+02 -0.366815D+01
      3  -0.216277D+02  0.242614D+02  0.149529D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.687239D+00 -0.542656D+01  0.261694D+01
      2  -0.542656D+01 -0.123757D+01 -0.184231D+01
      3   0.261694D+01 -0.184231D+01 -0.114024D+01
 OR G Eigenvalues:    -5.8058    -2.4429     6.5581  Iso=     0.5635
 Eigenvectors:
   (1)   0.656487   0.750921  -0.071709
   (2)  -0.245469   0.302549   0.920983
   (3)   0.713281  -0.587011   0.382947
 w=    0.085645 a.u., Optical Rotation Beta=      0.5635 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      196.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 4.06D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.50D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.11D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 7.02D-02 3.19D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 3.67D-03 7.93D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 5.34D-05 6.53D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 8.89D-07 8.08D-05.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 1.44D-08 1.07D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.69D-10 1.28D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 1.64D-12 1.02D-07.
     17 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 1.54D-14 1.08D-08.
      6 vectors produced by pass  9 Test12= 3.06D-14 2.78D-09 XBig12= 2.36D-15 5.96D-09.
      1 vectors produced by pass 10 Test12= 3.06D-14 2.78D-09 XBig12= 1.58D-15 3.26D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 9.68D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 9.68D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.09D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143206D+03 -0.524043D+01 -0.255312D+01
      2  -0.524043D+01  0.110802D+03  0.133876D+01
      3  -0.255312D+01  0.133876D+01  0.997528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.421033D+01  0.800418D+00  0.119370D+01
      2   0.251657D+02 -0.554659D+01  0.801288D+01
      3  -0.182400D+02  0.965300D+01  0.806635D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.390903D+02 -0.111078D+02  0.101455D+02
      2   0.512086D+01  0.982618D+01 -0.189107D+02
      3   0.339694D+02  0.128158D+01  0.876514D+01
      4  -0.327355D+02 -0.191406D+02 -0.922308D+01
      5   0.175376D+02 -0.115136D+02  0.303013D+02
      6   0.343925D+01 -0.299887D+01 -0.718912D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.217829D+02 -0.450566D+00 -0.142655D+01 -0.274226D+01 -0.171390D+01
      2  -0.450566D+00  0.283825D+00 -0.403250D+00 -0.171390D+01 -0.588471D+01
      3  -0.142655D+01 -0.403250D+00 -0.379939D+01  0.418260D+00 -0.131026D+01
                 6             7             8             9            10 
      1   0.418260D+00 -0.546639D+01 -0.206603D+01 -0.547197D+01 -0.261721D+01
      2  -0.131026D+01 -0.206603D+01  0.506305D+00  0.129248D+01  0.214966D+01
      3   0.954907D+00 -0.547197D+01  0.129248D+01  0.291613D+01 -0.276472D+00
                11            12            13            14            15 
      1   0.214966D+01 -0.276472D+00 -0.288155D+00 -0.197645D+01  0.895213D+00
      2  -0.109339D+01  0.280461D+01 -0.197645D+01  0.547428D+01  0.141359D+01
      3   0.280461D+01 -0.160389D+01  0.895213D+00  0.141359D+01  0.107273D+00
                16            17            18            19            20 
      1  -0.118129D+01  0.415497D+01 -0.116791D+01  0.252445D+02 -0.410446D+01
      2   0.415497D+01  0.200627D+01  0.204931D+00 -0.410446D+01  0.420040D+01
      3  -0.116791D+01  0.204931D+00  0.137054D+01 -0.209379D+01  0.104781D-01
                21            22            23            24            25 
      1  -0.209379D+01 -0.611493D+01  0.439273D+01  0.627316D+00 -0.587401D+01
      2   0.104781D-01  0.439273D+01  0.407241D+01  0.367360D+00  0.162027D-01
      3   0.233277D+01  0.627316D+00  0.367360D+00 -0.249797D+01  0.398202D+01
                26            27            28            29            30 
      1   0.162027D-01  0.398202D+01 -0.212311D+02  0.473129D+01  0.250394D+01
      2  -0.520894D+00 -0.293163D+01  0.473129D+01 -0.343119D+01 -0.809649D+00
      3  -0.293163D+01 -0.426322D+01  0.250394D+01 -0.809649D+00 -0.357839D+01
                31            32            33            34            35 
      1   0.952955D+01 -0.585977D+01 -0.543604D+00  0.657594D+01 -0.125762D+01
      2  -0.585977D+01  0.851102D+00  0.123107D+00 -0.125762D+01  0.843716D+00
      3  -0.543604D+00  0.123107D+00  0.215332D+01 -0.467405D+01  0.103199D+01
                36            37            38            39            40 
      1  -0.467405D+01  0.113591D+02 -0.312710D+01  0.190976D+00 -0.344661D+01
      2   0.103199D+01 -0.312710D+01 -0.571544D-01 -0.376245D+00  0.138646D+01
      3   0.238856D+01  0.190976D+00 -0.376245D+00  0.270964D+01 -0.453731D+00
                41            42            43            44            45 
      1   0.138646D+01 -0.453731D+00  0.475485D-01 -0.179560D+00  0.618565D+01
      2   0.622250D+01  0.129197D+01 -0.179560D+00  0.155913D+01 -0.123776D+01
      3   0.129197D+01 -0.142625D+01  0.618565D+01 -0.123776D+01 -0.483811D+01
                46            47            48            49            50 
      1  -0.801643D+00 -0.339804D+01 -0.203931D+01 -0.502542D+01  0.459011D+01
      2  -0.339804D+01  0.201256D+01  0.703022D-01  0.459011D+01 -0.598904D+00
      3  -0.203931D+01  0.703022D-01  0.263578D+01 -0.269958D+00  0.705675D+00
                51            52            53            54            55 
      1  -0.269958D+00 -0.219246D+01 -0.776895D+00  0.446781D+01  0.224986D+01
      2   0.705675D+00 -0.776895D+00  0.212981D+01 -0.362985D+01  0.158283D+01
      3  -0.233708D+01  0.446781D+01 -0.362985D+01  0.202022D+01  0.122054D+01
                56            57            58            59            60 
      1   0.158283D+01  0.122054D+01  0.183906D+01 -0.790804D+00 -0.139087D+00
      2  -0.490893D+00  0.535677D-01 -0.790804D+00 -0.773437D+01 -0.412588D-01
      3   0.535677D-01 -0.987662D+00 -0.139087D+00 -0.412588D-01  0.126571D+01
                61            62            63            64            65 
      1   0.168571D+01  0.175159D+00 -0.109667D+01  0.123937D+02 -0.122498D+01
      2   0.175159D+00  0.532884D+00  0.596602D+00 -0.122498D+01  0.190338D+01
      3  -0.109667D+01  0.596602D+00 -0.516134D+01  0.436768D+01 -0.731945D+00
                66            67            68            69            70 
      1   0.436768D+01  0.187266D+01  0.551976D+01  0.571284D+00  0.119366D+02
      2  -0.731945D+00  0.551976D+01 -0.410006D+01  0.129120D+01 -0.190747D+00
      3   0.282541D+01  0.571284D+00  0.129120D+01  0.906422D+00  0.413776D+01
                71            72            73            74            75 
      1  -0.190747D+00  0.413776D+01  0.409615D+01 -0.109174D+01 -0.191621D+01
      2   0.363856D+00  0.905322D+00 -0.109174D+01  0.351274D+00  0.492992D+00
      3   0.905322D+00 -0.947659D+00 -0.191621D+01  0.492992D+00  0.224886D+01
                76            77            78            79            80 
      1  -0.273608D+01  0.317785D+00  0.295716D+00 -0.218817D+01  0.599441D+00
      2   0.317785D+00 -0.779940D+00 -0.154492D+01  0.599441D+00 -0.182291D+01
      3   0.295716D+00 -0.154492D+01 -0.219602D+01  0.291740D+01 -0.263013D+01
                81            82            83            84            85 
      1   0.291740D+01  0.296152D+01  0.149019D+01 -0.128609D+01  0.112835D+01
      2  -0.263013D+01  0.149019D+01  0.168655D+01 -0.140404D+01  0.151668D+01
      3  -0.831695D+01 -0.128609D+01 -0.140404D+01  0.163613D+01 -0.122599D+01
                86            87            88            89            90 
      1   0.151668D+01 -0.122599D+01 -0.183292D+01 -0.170485D+01  0.152882D+01
      2   0.431509D+01 -0.232556D+01 -0.170485D+01 -0.258089D+01  0.217499D+01
      3  -0.232556D+01  0.194783D+01  0.152882D+01  0.217499D+01 -0.298430D+01
                91            92            93            94            95 
      1   0.148726D+00 -0.152925D+01 -0.622769D+00 -0.156516D+01 -0.123582D+01
      2  -0.152925D+01 -0.954370D+00  0.114488D+00 -0.123582D+01 -0.103707D+02
      3  -0.622769D+00  0.114488D+00  0.170054D+00 -0.795126D-01 -0.174420D+01
                96            97            98            99           100 
      1  -0.795126D-01 -0.195490D+01  0.247590D+00 -0.602669D+00 -0.573880D+00
      2  -0.174420D+01  0.247590D+00 -0.756053D+00 -0.582544D+00 -0.880189D+00
      3  -0.118016D+01 -0.602669D+00 -0.582544D+00 -0.124931D+00 -0.419103D+00
               101           102           103           104           105 
      1  -0.880189D+00 -0.419103D+00 -0.246998D+01 -0.312120D+01 -0.907318D-01
      2  -0.491443D+00 -0.525820D-01 -0.312120D+01 -0.833490D+01 -0.500630D+00
      3  -0.525820D-01 -0.204057D+00 -0.907318D-01 -0.500630D+00 -0.101986D+01
               106           107           108           109           110 
      1  -0.839284D+00 -0.345471D+00 -0.819450D+00 -0.109723D+02  0.148856D+01
      2  -0.345471D+00 -0.945500D+00 -0.970993D+00  0.148856D+01 -0.108614D+01
      3  -0.819450D+00 -0.970993D+00  0.129358D-01 -0.225407D+01  0.599709D+00
               111           112           113           114           115 
      1  -0.225407D+01  0.476918D+01 -0.162324D+01  0.587603D+00 -0.493134D+01
      2   0.599709D+00 -0.162324D+01  0.829337D+00 -0.894055D+00  0.529616D+00
      3  -0.172991D+01  0.587603D+00 -0.894055D+00  0.962758D+00 -0.318234D+01
               116           117           118           119           120 
      1   0.529616D+00 -0.318234D+01 -0.451799D+01  0.291220D+00  0.206505D+01
      2  -0.112414D+01  0.786931D+00  0.291220D+00 -0.173987D+00  0.219422D-01
      3   0.786931D+00 -0.145893D+01  0.206505D+01  0.219422D-01 -0.188852D+01
               121           122           123           124           125 
      1   0.215459D+01 -0.872737D+00 -0.555922D+00  0.537234D+01  0.543779D+00
      2  -0.872737D+00 -0.189406D+00  0.946840D+00  0.543779D+00  0.105813D+01
      3  -0.555922D+00  0.946840D+00  0.897491D+00 -0.487282D+01  0.337367D+00
               126           127           128           129           130 
      1  -0.487282D+01 -0.555662D+01  0.258630D+01  0.259182D+01  0.232085D+01
      2   0.337367D+00  0.258630D+01 -0.229140D+01 -0.104150D+01 -0.219143D+01
      3   0.741753D+01  0.259182D+01 -0.104150D+01 -0.178755D+01 -0.856498D+00
               131           132           133           134           135 
      1  -0.219143D+01 -0.856498D+00  0.385040D+01 -0.137278D+01 -0.294454D+01
      2   0.190533D+01  0.119723D+01 -0.137278D+01  0.170842D+01  0.213045D+01
      3   0.119723D+01  0.121733D+01 -0.294454D+01  0.213045D+01  0.265336D+01
               136           137           138           139           140 
      1  -0.229545D+01  0.205820D+01 -0.120834D+01  0.190375D+01 -0.214931D+01
      2   0.205820D+01 -0.160263D+01  0.701285D+00 -0.214931D+01  0.354777D+01
      3  -0.120834D+01  0.701285D+00 -0.126536D+01  0.100780D+01 -0.216367D+01
               141           142           143           144           145 
      1   0.100780D+01 -0.259510D+01  0.205027D+01 -0.304418D+01  0.493103D-01
      2  -0.216367D+01  0.205027D+01 -0.415985D+01  0.314324D+01 -0.214865D+00
      3   0.182208D+01 -0.304418D+01  0.314324D+01 -0.484276D+01  0.732472D+00
               146           147           148           149           150 
      1  -0.214865D+00  0.732472D+00 -0.740332D+00  0.423379D+00 -0.207186D+00
      2   0.249760D+00 -0.367034D-02  0.423379D+00  0.510932D+00  0.943058D+00
      3  -0.367034D-02  0.527773D+00 -0.207186D+00  0.943058D+00 -0.554902D+00
               151           152           153           154           155 
      1   0.146520D+01 -0.335278D+00  0.723016D+00  0.225520D+00  0.126955D+01
      2  -0.335278D+00  0.135039D+01  0.960578D+00  0.126955D+01  0.651238D+00
      3   0.723016D+00  0.960578D+00  0.715996D+01 -0.147783D+00  0.658360D-01
               156           157           158           159           160 
      1  -0.147783D+00  0.112474D+01  0.396636D+00  0.535340D-01 -0.521927D+00
      2   0.658360D-01  0.396636D+00  0.123871D+02  0.470556D+00  0.393131D-01
      3   0.191962D+00  0.535340D-01  0.470556D+00  0.808007D+00  0.176233D+00
               161           162           163           164           165 
      1   0.393131D-01  0.176233D+00  0.398177D+01  0.267687D+00 -0.317347D+01
      2  -0.797477D+00  0.120083D+01  0.267687D+00 -0.314969D+01 -0.482604D+00
      3   0.120083D+01  0.366742D+00 -0.317347D+01 -0.482604D+00 -0.192133D+01
               166           167           168           169           170 
      1  -0.121175D+00 -0.442458D+01 -0.872876D+00 -0.422904D+01 -0.679622D+00
      2  -0.442458D+01  0.525054D+01 -0.309931D+01 -0.679622D+00 -0.166685D+01
      3  -0.872876D+00 -0.309931D+01 -0.302146D+01 -0.255546D+01 -0.252656D+01
               171           172           173           174           175 
      1  -0.255546D+01 -0.238385D+01 -0.721445D+00 -0.335058D+01 -0.139761D+01
      2  -0.252656D+01 -0.721445D+00 -0.347185D+01 -0.846083D+00 -0.572363D+01
      3  -0.313802D+00 -0.335058D+01 -0.846083D+00 -0.120298D+01 -0.130909D+01
               176           177           178           179           180 
      1  -0.572363D+01 -0.130909D+01 -0.412034D+01 -0.128793D+01 -0.236129D+01
      2   0.489943D+01 -0.236033D+00 -0.128793D+01 -0.554585D+00 -0.277911D+01
      3  -0.236033D+00 -0.279934D+01 -0.236129D+01 -0.277911D+01  0.461116D+01
               181           182           183           184           185 
      1  -0.586004D+01 -0.325154D+00  0.127434D+01 -0.353964D+00 -0.305232D+00
      2  -0.325154D+00 -0.742091D+00  0.623099D+00 -0.305232D+00 -0.710441D+00
      3   0.127434D+01  0.623099D+00 -0.227551D+01  0.346180D+00  0.684610D+00
               186           187           188           189           190 
      1   0.346180D+00  0.110308D+01  0.364973D+00 -0.129950D+01  0.288222D+01
      2   0.684610D+00  0.364973D+00  0.506803D+00  0.877082D-01  0.848217D+00
      3   0.145012D+00 -0.129950D+01  0.877082D-01  0.149359D+01  0.275359D+01
               191           192           193           194           195 
      1   0.848217D+00  0.275359D+01  0.195071D+01  0.167876D+01  0.170834D+01
      2   0.125330D+01  0.603978D+00  0.167876D+01  0.144760D+01  0.193352D+01
      3   0.603978D+00  0.298561D+01  0.170834D+01  0.193352D+01  0.348643D+01
               196           197           198           199           200 
      1   0.214911D+01  0.808605D+00  0.292790D+01  0.173860D+01 -0.195860D+01
      2   0.808605D+00  0.127709D+01  0.166185D+01 -0.195860D+01  0.229137D+01
      3   0.292790D+01  0.166185D+01  0.556288D+01  0.128688D+01 -0.785230D+00
               201           202           203           204           205 
      1   0.128688D+01 -0.234873D+01  0.322297D+01 -0.101624D+01  0.549547D+00
      2  -0.785230D+00  0.322297D+01 -0.781108D+01  0.285197D+01 -0.326807D+00
      3   0.130409D+01 -0.101624D+01  0.285197D+01 -0.199697D+01  0.958293D+00
               206           207           208           209           210 
      1  -0.326807D+00  0.958293D+00  0.366803D+00  0.614524D+00 -0.108659D+01
      2   0.995494D+00 -0.113728D+01  0.614524D+00  0.404664D+00 -0.783531D-01
      3  -0.113728D+01  0.964732D+00 -0.108659D+01 -0.783531D-01  0.911381D+00
               211           212           213           214           215 
      1   0.122457D+01  0.101036D+01 -0.523975D+00 -0.255609D+01 -0.234532D+00
      2   0.101036D+01  0.452063D+00 -0.117723D+01 -0.234532D+00 -0.120415D+01
      3  -0.523975D+00 -0.117723D+01  0.185403D+01  0.265630D+01  0.150209D+01
               216           217           218           219           220 
      1   0.265630D+01  0.350637D+01 -0.232059D+01  0.169908D+00 -0.486757D+01
      2   0.150209D+01 -0.232059D+01  0.219711D+01  0.158780D+00  0.463932D+01
      3  -0.709864D+01  0.169908D+00  0.158780D+00  0.396878D+00  0.550205D+00
               221           222           223           224           225 
      1   0.463932D+01  0.550205D+00  0.818154D+00  0.130758D+00  0.110561D+01
      2  -0.729925D+01 -0.202633D+00  0.130758D+00  0.649034D-01 -0.777861D+00
      3  -0.202633D+00 -0.959549D+00  0.110561D+01 -0.777861D+00 -0.386414D+00
               226           227           228           229           230 
      1   0.738875D+01  0.196876D+01  0.214392D+01  0.439996D+01  0.289316D+01
      2   0.196876D+01  0.155078D+01  0.694090D+00  0.289316D+01  0.164827D+01
      3   0.214392D+01  0.694090D+00  0.136822D+01  0.108295D+01  0.101908D+01
               231           232           233           234 
      1   0.108295D+01  0.492962D+01  0.109743D+01  0.232602D+01
      2   0.101908D+01  0.109743D+01  0.123011D+01  0.118635D+01
      3   0.146096D+01  0.232602D+01  0.118635D+01  0.179872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197960D+01 -0.797390D+00 -0.190998D+01 -0.101424D+01  0.698421D+01
      2  -0.304528D+02  0.791478D+00 -0.278321D+01 -0.326720D+01 -0.414915D+01
      3   0.294461D+02 -0.512019D+01  0.118584D+01  0.180629D+02  0.878434D+01
                 6             7             8             9            10 
      1   0.171696D+00  0.106004D+01  0.445254D+01  0.230383D+01  0.105377D+01
      2  -0.265456D+00 -0.214646D+02 -0.148869D+01 -0.556575D+01 -0.340978D+01
      3   0.284928D+01  0.106265D+02 -0.905871D+00  0.581819D+01 -0.671854D+01
                11            12            13            14            15 
      1  -0.290508D+01 -0.642250D+00 -0.544061D+00 -0.742897D+01 -0.433873D+01
      2   0.588048D+01  0.140312D+01 -0.267759D+00  0.150998D+01  0.173582D+01
      3  -0.355250D+01 -0.560278D+01  0.103003D+02 -0.134966D+02  0.175445D+00
                16            17            18            19            20 
      1  -0.172318D+01  0.376387D+01 -0.248344D+01  0.143305D+01  0.137648D+00
      2  -0.477100D+01  0.639237D+01  0.177592D+01  0.247930D+02 -0.295895D+01
      3  -0.122272D+02  0.722600D+00 -0.295793D+01 -0.452624D+02  0.115553D+02
                21            22            23            24            25 
      1   0.446090D+01  0.196084D+01 -0.408416D+01 -0.354508D+01  0.843890D+01
      2  -0.416034D+01 -0.732193D+01  0.435417D+01  0.275468D+01 -0.239830D+02
      3   0.259826D+01  0.230955D+02 -0.675746D+01 -0.319379D+01  0.108750D+02
                26            27            28            29            30 
      1   0.113145D+01 -0.340607D+01  0.758126D-02  0.830268D+00 -0.353149D+01
      2   0.311785D+01  0.818629D+01 -0.240660D+02  0.344051D+01  0.781090D+01
      3  -0.371937D+01 -0.996563D+01  0.406291D+02 -0.168985D+02 -0.537140D+01
                31            32            33            34            35 
      1   0.219391D+01  0.276116D+00  0.170693D+01 -0.611280D+01  0.987324D+01
      2   0.110756D+02 -0.330331D+01 -0.373310D+01  0.334448D+01 -0.299764D+01
      3  -0.168023D+02  0.714328D+01 -0.119640D+01 -0.141486D+02  0.171538D+01
                36            37            38            39            40 
      1   0.379953D+01 -0.296724D+00  0.232412D+00  0.150182D+01  0.101085D+01
      2  -0.623788D+01 -0.286869D+01  0.211420D+01 -0.836903D+01  0.328671D+01
      3   0.775379D+01 -0.233224D+02  0.156642D+01 -0.146285D+01  0.138102D+02
                41            42            43            44            45 
      1   0.329060D+01 -0.310134D+01  0.617178D+01  0.761501D+00 -0.527610D+01
      2  -0.540986D+01  0.537969D+01 -0.322254D+02  0.551174D+01  0.201559D+02
      3   0.225924D+02  0.537717D+01 -0.294282D+01  0.656849D+01 -0.112989D+02
                46            47            48            49            50 
      1   0.337527D+01  0.145901D+00 -0.468218D+01  0.158229D+01 -0.171482D+01
      2   0.649978D+01 -0.158827D+01 -0.392543D+01 -0.168431D+01 -0.310294D+00
      3  -0.977424D+01 -0.633657D+01 -0.518989D+01  0.961869D+01 -0.377941D+01
                51            52            53            54            55 
      1   0.212940D+01 -0.116918D+02  0.118317D+02 -0.224000D+01 -0.213284D+01
      2   0.464081D+01 -0.141830D+02  0.784455D+01 -0.268578D+01 -0.312094D+01
      3   0.264452D+01 -0.691531D+01  0.743686D+01 -0.286032D+01  0.957429D+01
                56            57            58            59            60 
      1  -0.772845D+00  0.256497D+01  0.329431D+00 -0.736211D+01 -0.516454D+01
      2  -0.417815D+00  0.181940D+01 -0.237699D+01  0.108897D+01 -0.798331D+00
      3   0.523196D+01  0.467324D+01  0.119410D+02 -0.534901D+01  0.389703D+00
                61            62            63            64            65 
      1   0.307973D+01  0.273688D+01  0.127800D+02  0.844127D-01  0.233013D+01
      2  -0.221082D+01 -0.120246D+01  0.303886D+01  0.261663D+02 -0.231709D+01
      3   0.498126D+01 -0.632368D-01 -0.116105D+01 -0.647695D+01 -0.995460D+01
                66            67            68            69            70 
      1   0.184496D+01 -0.439264D+01  0.244750D+01 -0.455758D+01 -0.173489D+01
      2   0.118098D+02  0.590825D+01  0.377400D+01  0.331679D+01  0.830900D+01
      3  -0.246592D-01 -0.127343D+02  0.823130D+01 -0.279844D+01 -0.940038D+01
                71            72            73            74            75 
      1   0.490230D+01 -0.248461D+00 -0.129302D+01 -0.443729D+00  0.116341D+01
      2   0.415927D+01 -0.646793D+00  0.528759D+01 -0.114286D+01  0.476472D+00
      3  -0.178808D+01 -0.552164D+01 -0.393854D+01 -0.827866D+00  0.115577D+01
                76            77            78            79            80 
      1   0.282912D+00  0.166894D+00 -0.481828D+00  0.183396D+01  0.332770D+01
      2  -0.369988D+01 -0.791927D+00 -0.123874D+01 -0.295796D+01 -0.932950D+00
      3   0.668575D+01 -0.390958D+00  0.392814D+00  0.132701D+01  0.165642D+01
                81            82            83            84            85 
      1  -0.229912D+01  0.769411D+00 -0.290509D-01 -0.168772D+01  0.137814D+00
      2  -0.235422D+01  0.225185D+01 -0.689691D+00  0.190054D+01 -0.368566D+00
      3  -0.790180D+00  0.207140D+01 -0.159722D+01 -0.243732D+00  0.295899D+01
                86            87            88            89            90 
      1  -0.125880D+01 -0.250214D+01 -0.102741D+01  0.396097D+00  0.290541D+01
      2  -0.945867D+00  0.116138D+01 -0.188878D+01  0.253585D+00 -0.216314D+01
      3  -0.390550D+01  0.130033D+01 -0.549728D+00  0.173284D+01 -0.257468D-01
                91            92            93            94            95 
      1  -0.701707D+00  0.115376D+01 -0.445034D+00  0.103210D+01  0.616172D+01
      2   0.269835D+00 -0.140456D+01 -0.148865D+00 -0.151033D+01 -0.539179D+00
      3  -0.374827D+00  0.273455D+00  0.953176D+00  0.421600D+01 -0.731216D+01
                96            97            98            99           100 
      1  -0.407594D+01 -0.395783D+01  0.947417D+00  0.998648D+00 -0.873734D+00
      2   0.143890D+01 -0.230903D+01 -0.493869D-01 -0.707549D+00  0.160661D+01
      3  -0.925373D+00  0.546386D+01 -0.901239D+00  0.432144D+00 -0.359308D+01
               101           102           103           104           105 
      1  -0.436109D+00 -0.156412D+00 -0.581802D+00 -0.224490D+01 -0.386947D+01
      2   0.396553D+00  0.146306D+01  0.230247D+00  0.177879D+01  0.401295D+01
      3  -0.220687D+01  0.467714D+00 -0.476477D+01 -0.272149D+02 -0.200319D+01
               106           107           108           109           110 
      1  -0.132149D+00 -0.235385D+00 -0.445553D+00 -0.590646D+00  0.888116D+00
      2   0.165694D+01  0.278237D+01 -0.735384D-01  0.833868D+01 -0.205823D+01
      3   0.341958D-01 -0.308402D+01 -0.216923D+01  0.154585D+02 -0.779885D+01
               111           112           113           114           115 
      1  -0.109846D+01  0.258647D+00 -0.100255D+01 -0.152610D+00 -0.161535D+01
      2   0.873638D+01 -0.299150D+01  0.326863D+01 -0.401900D+01  0.111690D+02
      3   0.432575D+01 -0.849374D+01  0.488937D+01 -0.382943D+01  0.610603D+01
               116           117           118           119           120 
      1   0.163493D+01 -0.897483D+00  0.218356D+01 -0.718338D+00 -0.179910D+01
      2  -0.313929D+01  0.562866D+01 -0.674722D+01 -0.446884D+00  0.771782D+01
      3  -0.567540D+01  0.573844D+01  0.636531D+01 -0.225858D+01 -0.230634D+01
               121           122           123           124           125 
      1  -0.981258D+00  0.101065D+01  0.575661D+00 -0.341513D+01  0.318300D+01
      2   0.172288D+01 -0.313802D+01 -0.348543D+01  0.160478D+02 -0.140581D+01
      3  -0.310826D+01  0.132867D+00  0.342591D+01 -0.371144D+01  0.451125D+01
               126           127           128           129           130 
      1   0.719068D+01 -0.467815D+01  0.113434D+01  0.378721D+01  0.947957D+00
      2  -0.278362D+02 -0.499240D+01  0.283958D+01  0.546717D+01  0.185180D+01
      3   0.628564D+01 -0.400178D+01 -0.412212D+01  0.182059D+01  0.472644D+00
               131           132           133           134           135 
      1  -0.151497D+01 -0.288945D+01  0.502851D+01 -0.161398D+01 -0.459756D+01
      2  -0.268761D+01 -0.327720D+01  0.413303D+01 -0.474284D+01 -0.648061D+01
      3   0.596903D+00  0.980409D+00  0.483038D+01  0.219284D+01  0.103813D+00
               136           137           138           139           140 
      1   0.191010D+01 -0.100710D+01  0.230785D+01 -0.958530D+00  0.221246D+01
      2   0.157417D+01 -0.743790D+00  0.365005D+01 -0.443474D+00  0.331971D+01
      3   0.118071D+01 -0.143251D+01  0.378826D-01 -0.629784D+00  0.648973D+01
               141           142           143           144           145 
      1  -0.446297D+01  0.581098D+01 -0.396172D+01  0.813068D+01 -0.258122D+01
      2  -0.389382D+01  0.389885D+01 -0.574430D+01  0.928104D+01 -0.629258D+00
      3  -0.320513D+01  0.418324D+00 -0.878842D+01  0.296316D+01 -0.148614D+00
               146           147           148           149           150 
      1   0.836673D+00 -0.176880D+01  0.108148D+01 -0.183406D+01  0.157194D+01
      2   0.456751D+00 -0.242032D+00  0.169398D+01 -0.148850D+01  0.913213D+00
      3  -0.266732D+01  0.187307D+01 -0.178190D+01  0.871066D+00  0.165123D+00
               151           152           153           154           155 
      1  -0.227032D+01  0.204865D+01 -0.160281D+02  0.103881D+01  0.442180D+00
      2  -0.408834D+01  0.156933D+00 -0.372656D+01  0.545493D+00 -0.610675D+00
      3   0.416061D+01 -0.514169D+00  0.132929D+01  0.828921D+00  0.168994D+01
               156           157           158           159           160 
      1  -0.611819D+00 -0.600409D-01  0.482139D+01 -0.435837D+01 -0.752239D+00
      2   0.925050D+00 -0.113751D+01 -0.807692D+00 -0.240116D+00 -0.618019D+00
      3  -0.847381D+00  0.677577D+01  0.535229D+01  0.225237D+00 -0.145569D+01
               161           162           163           164           165 
      1  -0.166832D+01 -0.409839D+00 -0.164736D+01 -0.675377D+01 -0.260873D+01
      2  -0.364684D+00 -0.598624D+00 -0.158952D+02 -0.247620D+01  0.733233D+01
      3  -0.639380D+00  0.121773D+01 -0.389010D+01  0.280693D+01  0.402202D+01
               166           167           168           169           170 
      1  -0.102481D+02  0.805324D+01 -0.119201D+02 -0.367756D+01 -0.435276D+01
      2  -0.352566D+01  0.167429D+01 -0.352548D+01  0.131743D+00 -0.315825D+01
      3   0.103409D+02 -0.638061D+01  0.593027D+01  0.502912D+01  0.398620D+01
               171           172           173           174           175 
      1  -0.620307D+01 -0.975583D+00  0.117492D+01 -0.462604D+00  0.272001D+01
      2   0.167163D+01 -0.137739D+02 -0.328429D+01 -0.556048D+01 -0.488639D+01
      3   0.642555D+01  0.460444D+01  0.125612D+02  0.429863D+01  0.272216D+02
               176           177           178           179           180 
      1  -0.262948D+01 -0.275652D+01 -0.471389D+00  0.137269D+01  0.330626D+01
      2  -0.444391D+01 -0.111509D+02 -0.165538D+02 -0.105050D+02  0.164855D+02
      3  -0.160428D+02  0.131747D+01  0.655610D+01  0.180006D+01  0.112278D+02
               181           182           183           184           185 
      1   0.235810D+00 -0.223517D+01 -0.103584D+01 -0.148235D+01 -0.923396D-01
      2   0.192736D+02  0.108284D+01 -0.416130D+01  0.973237D+00  0.209601D+01
      3   0.674705D+01 -0.378179D+00 -0.153367D+01  0.234939D+01  0.104081D+01
               186           187           188           189           190 
      1   0.369550D+00 -0.103240D+01  0.200869D+01  0.969825D+00  0.403512D+01
      2  -0.352720D+00 -0.634327D+01 -0.583769D+00  0.418746D+01  0.230518D+00
      3  -0.922040D+00 -0.110983D+01 -0.140887D+00  0.111422D+01 -0.297574D+01
               191           192           193           194           195 
      1   0.397756D+01  0.336494D+01  0.457501D+01  0.577490D+01  0.512195D+01
      2  -0.701662D+00  0.259150D+01 -0.122958D+01  0.119730D+01  0.445768D+01
      3  -0.381742D+01 -0.302102D+01 -0.295434D+01 -0.440439D+01 -0.447933D+01
               196           197           198           199           200 
      1   0.415349D+01  0.577905D+01  0.740360D+01 -0.251677D+01  0.416574D+01
      2  -0.164884D+01  0.153340D+01  0.601583D+01 -0.523857D+00  0.161402D+01
      3  -0.216584D+01 -0.365227D+01 -0.487896D+01  0.156761D+01 -0.353918D+01
               201           202           203           204           205 
      1   0.780019D+00  0.550867D+01 -0.129707D+02  0.742230D+00  0.169035D-01
      2   0.163180D+01  0.310970D+01  0.374868D+00 -0.309535D+01 -0.530748D+00
      3   0.610546D+00 -0.834721D+00  0.114222D+02 -0.413338D+01 -0.229124D+00
               206           207           208           209           210 
      1   0.208022D+01 -0.122555D+01 -0.828795D+00 -0.333153D+00  0.398984D+00
      2  -0.977187D+00  0.337596D+00 -0.433701D+01  0.128417D+00  0.337116D+01
      3  -0.133740D+01  0.105484D+01 -0.229283D+01 -0.195184D+01  0.851374D+00
               211           212           213           214           215 
      1  -0.337620D+00 -0.125531D+01  0.306235D+00  0.798874D+00  0.374695D+01
      2  -0.237316D+00 -0.319862D+01  0.649667D+01  0.404348D+01  0.541690D+01
      3  -0.224472D+01 -0.224235D+01  0.417907D+01  0.107738D+01  0.507937D+01
               216           217           218           219           220 
      1  -0.271885D+01  0.101771D+01 -0.102393D+01  0.831179D+00 -0.133720D+01
      2  -0.236740D+02  0.212774D+01 -0.639516D+00  0.298698D+01 -0.352501D+00
      3  -0.642477D+01  0.638943D+01 -0.839884D+01 -0.654751D+00 -0.115429D+02
               221           222           223           224           225 
      1   0.342510D+01 -0.300947D+01  0.459938D+00  0.305297D+00  0.477136D-01
      2   0.176879D+01 -0.418695D+01  0.292962D+01 -0.214099D+01 -0.967979D+00
      3   0.248954D+02  0.229372D+00 -0.133915D+01 -0.241534D+00  0.185530D+01
               226           227           228           229           230 
      1  -0.765783D-02  0.602693D-02 -0.565824D+00 -0.407593D+00  0.993439D-01
      2   0.105755D+02  0.340473D+01  0.813777D+01  0.544852D+01  0.500846D+01
      3  -0.947730D+01 -0.823787D+01 -0.328295D+01 -0.103600D+02 -0.778775D+01
               231           232           233           234 
      1  -0.139007D+01  0.145855D+00  0.959868D+00 -0.689359D+00
      2   0.695402D+01  0.851469D+01  0.488630D+01  0.823395D+01
      3  -0.417560D+01 -0.529065D+01 -0.595103D+01 -0.526551D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.306787D+01 -0.120798D+00 -0.781172D+01  0.451655D+01 -0.394656D+01
      2   0.831672D+01 -0.193055D+01 -0.125987D+01 -0.254850D+01  0.610779D+01
      3  -0.113846D+02  0.205135D+01  0.907160D+01 -0.196805D+01 -0.216123D+01
      4   0.135847D+02  0.203715D+01 -0.166494D+01 -0.174238D+01 -0.617375D+00
      5   0.128243D+01 -0.304230D+01 -0.914462D+01  0.201756D+01 -0.143958D+01
      6  -0.361072D+00 -0.498571D+00  0.261457D+01  0.478270D+00  0.767975D+01
                 6             7             8             9            10 
      1   0.546769D+01 -0.213881D+02  0.143945D+01  0.965356D+01 -0.774692D+01
      2   0.678984D+00  0.451772D+00  0.399947D+01  0.732613D+01  0.519433D+01
      3  -0.614667D+01  0.209364D+02 -0.543893D+01 -0.169797D+02  0.255260D+01
      4  -0.131894D+01 -0.400499D+01  0.373345D+01  0.734738D+01  0.390562D+01
      5   0.280245D+01 -0.131011D+02  0.493268D+01  0.114192D+02  0.380519D+00
      6  -0.129811D+01  0.836488D+01 -0.211336D+01 -0.963834D+01  0.350606D+01
                11            12            13            14            15 
      1   0.797951D+01 -0.510921D+01  0.718439D+01 -0.105748D+02 -0.127666D+01
      2  -0.624826D+00  0.518027D+01 -0.263730D+01  0.126731D+02  0.345807D+01
      3  -0.735469D+01 -0.710634D-01 -0.454709D+01 -0.209833D+01 -0.218141D+01
      4  -0.527908D+01  0.741341D+01 -0.699895D+01  0.163332D+01  0.675640D+01
      5   0.707785D+01 -0.458495D+01  0.197072D+01  0.441492D+01 -0.341180D+01
      6   0.478771D+01 -0.568311D+01  0.650149D+01  0.430301D+01 -0.379854D+01
                16            17            18            19            20 
      1  -0.798043D+01  0.662304D+01 -0.268626D+01 -0.491756D+02  0.129431D+02
      2   0.651361D+01 -0.199185D+01  0.101526D+01  0.190249D+02 -0.983317D+01
      3   0.146683D+01 -0.463120D+01  0.167100D+01  0.301507D+02 -0.310989D+01
      4   0.109010D+02  0.609877D+01 -0.378478D+01 -0.131361D+02 -0.684892D+01
      5  -0.552853D+01 -0.267752D+01  0.435227D+01 -0.109806D+01  0.128802D+01
      6  -0.529099D+01 -0.617797D+01  0.722521D+01  0.484237D+01 -0.156096D+01
                21            22            23            24            25 
      1   0.474219D+01  0.270875D+02  0.573278D+01 -0.233946D+01  0.171466D+02
      2  -0.276670D+00 -0.216221D+02 -0.203067D+02 -0.366667D+01 -0.119414D+01
      3  -0.446552D+01 -0.546534D+01  0.145739D+02  0.600613D+01 -0.159524D+02
      4   0.146912D+01 -0.147001D+01 -0.111326D+02 -0.136867D+01  0.282751D+01
      5  -0.260063D+01 -0.404679D+01 -0.285590D+01  0.314252D+01  0.217598D+01
      6  -0.567231D+01 -0.517135D+01 -0.828998D+01  0.588753D+01 -0.114675D+02
                26            27            28            29            30 
      1  -0.371258D+01 -0.235847D+02  0.647694D+02 -0.224660D+02 -0.134650D+02
      2  -0.471267D+01  0.841170D-01 -0.341107D+02  0.113182D+02  0.258902D+01
      3   0.842524D+01  0.235006D+02 -0.306588D+02  0.111478D+02  0.108760D+02
      4   0.401804D+01  0.214011D+01  0.266477D+01  0.517584D+01  0.164365D+01
      5   0.357043D+01  0.102770D+02 -0.115764D+01  0.328648D+01  0.119958D+02
      6   0.123124D+02  0.117914D+02 -0.435602D+01  0.627827D+01  0.568591D+01
                31            32            33            34            35 
      1  -0.233440D+02  0.880846D+01  0.238802D+01 -0.143406D+02  0.500604D+01
      2   0.938949D+01  0.364523D+01  0.173144D+01  0.416045D+01 -0.165562D+01
      3   0.139545D+02 -0.124537D+02 -0.411946D+01  0.101801D+02 -0.335042D+01
      4   0.123299D+02  0.319651D+01 -0.199262D+00  0.901218D+00  0.855789D+00
      5  -0.187246D+01  0.320781D+01 -0.536843D+01  0.231209D+02 -0.463821D+01
      6   0.616654D+01 -0.499819D+01 -0.332187D+01  0.535827D+01  0.221505D+01
                36            37            38            39            40 
      1   0.103609D+02 -0.599680D+02  0.232790D+02 -0.104169D+02  0.330410D+02
      2  -0.116230D+02  0.371138D+02 -0.133600D+02  0.319040D+01 -0.242717D+02
      3   0.126213D+01  0.228542D+02 -0.991908D+01  0.722654D+01 -0.876935D+01
      4  -0.775218D+00  0.112637D+02  0.194296D+01  0.336991D+01 -0.605530D+01
      5  -0.418370D+01 -0.136740D+02  0.361909D+01 -0.208776D+02  0.483161D+01
      6  -0.655538D+01  0.509646D+00 -0.404072D+00 -0.285938D+01 -0.716418D+00
                41            42            43            44            45 
      1   0.653818D+01  0.723363D+01 -0.173909D+02  0.699371D+01 -0.278557D+02
      2  -0.199999D+02 -0.484526D+01  0.188988D+01 -0.571630D+01  0.264110D+02
      3   0.134617D+02 -0.238837D+01  0.155010D+02 -0.127741D+01  0.144464D+01
      4  -0.381016D+02 -0.787383D+01  0.269727D+01 -0.889642D+01  0.339031D+01
      5  -0.997581D+01  0.107759D+02 -0.483029D+02  0.100710D+02  0.339628D+02
      6  -0.252069D+01  0.242492D+01 -0.793454D+01  0.182827D+01  0.744730D+01
                46            47            48            49            50 
      1   0.710175D+01  0.691799D+01  0.828033D+01  0.736549D+01 -0.125670D+02
      2  -0.552595D+01 -0.253657D+01 -0.365502D+01 -0.994668D+00  0.977580D+01
      3  -0.157581D+01 -0.438141D+01 -0.462531D+01 -0.637082D+01  0.279122D+01
      4   0.149124D+02 -0.154191D+02 -0.666635D+01 -0.233490D+02  0.569111D+01
      5   0.107998D+02 -0.439429D+01 -0.133385D+02  0.918696D+00 -0.369496D+01
      6  -0.891447D+01 -0.228658D+01  0.110045D+02 -0.559418D+01  0.881184D+01
                51            52            53            54            55 
      1  -0.132637D+01  0.855459D+01 -0.440886D+01 -0.585015D+01 -0.109971D+02
      2   0.191506D+01 -0.425424D+01  0.346611D+01  0.816956D+00  0.901409D+01
      3  -0.588682D+00 -0.430035D+01  0.942751D+00  0.503319D+01  0.198302D+01
      4  -0.194148D+01 -0.157186D+01 -0.851224D+01  0.224552D+02  0.928502D+00
      5   0.107552D+02 -0.239687D+02  0.192679D+02 -0.583366D+01 -0.114860D+01
      6  -0.107936D+02  0.193731D+02 -0.205824D+02  0.981125D+01  0.726688D+01
                56            57            58            59            60 
      1   0.180655D+01 -0.740508D+00 -0.189963D+01  0.294297D+02 -0.181111D+01
      2  -0.617627D+01  0.115795D+01 -0.116719D+01 -0.501189D+02 -0.109797D+01
      3   0.436972D+01 -0.417442D+00  0.306682D+01  0.206893D+02  0.290908D+01
      4   0.142101D+01  0.271012D+01  0.576102D+01  0.333133D+01 -0.610275D+00
      5   0.147131D+01  0.315413D+00 -0.760662D+00 -0.119514D+01 -0.163560D+00
      6  -0.202701D+00 -0.227265D+01 -0.265896D+00 -0.313978D+01  0.435622D+01
                61            62            63            64            65 
      1  -0.107059D+01 -0.202709D+01  0.108706D+02  0.425717D+01 -0.318429D+01
      2   0.110562D+01  0.518596D+01  0.756718D+01 -0.840792D+01  0.327218D+00
      3  -0.350273D-01 -0.315887D+01 -0.184378D+02  0.415074D+01  0.285707D+01
      4  -0.670374D-01  0.305883D+00 -0.485206D+01 -0.736384D+01  0.822126D+01
      5   0.384946D+01 -0.167631D+01  0.430656D+00  0.156487D+02 -0.117833D+01
      6  -0.348099D+01  0.376389D+01 -0.161051D+02 -0.454030D+01  0.269663D+01
                66            67            68            69            70 
      1   0.154347D+02 -0.598719D+01  0.146366D+02 -0.102780D+01  0.225342D+02
      2  -0.977551D+01  0.217870D+01 -0.678501D+01 -0.103021D+01 -0.135785D+02
      3  -0.565919D+01  0.380849D+01 -0.785157D+01  0.205801D+01 -0.895564D+01
      4  -0.315099D+01  0.167828D+02 -0.149194D+02  0.303405D+01 -0.546157D+01
      5   0.946350D+01  0.811413D-01  0.486423D+01  0.448955D+01  0.150559D+02
      6   0.179410D+00  0.679980D-01 -0.408301D+01  0.149165D+01 -0.277648D+01
                71            72            73            74            75 
      1  -0.233335D+01  0.531358D+01 -0.145806D+01  0.654311D-02  0.359875D+01
      2  -0.968295D+00 -0.702997D+01 -0.540009D+01  0.149734D+01  0.412883D+01
      3   0.330164D+01  0.171640D+01  0.685815D+01 -0.150388D+01 -0.772758D+01
      4   0.162744D+01  0.308297D+01 -0.595128D+01  0.440454D+01  0.366712D+01
      5   0.449253D+01 -0.544934D+01 -0.806590D+01  0.342818D+01  0.122195D+02
      6   0.271555D+01  0.207161D+01  0.459571D+01 -0.229896D+01 -0.377844D+01
                76            77            78            79            80 
      1   0.353583D+01 -0.683079D+01 -0.720957D+01  0.568536D+01 -0.748294D+01
      2  -0.569317D+00  0.108134D+01 -0.311001D+00  0.582343D+01 -0.250228D+01
      3  -0.296651D+01  0.574945D+01  0.752057D+01 -0.115088D+02  0.998521D+01
      4   0.428278D+01 -0.219709D+01 -0.390274D+01  0.472644D+01 -0.409559D+01
      5   0.341865D+01 -0.399748D+01 -0.445890D+01  0.131102D+02 -0.599975D+01
      6  -0.271170D+01  0.597576D+01  0.104188D+02 -0.440208D+01  0.100627D+02
                81            82            83            84            85 
      1  -0.260635D+02  0.593521D+01 -0.142275D+01  0.501382D+00 -0.120189D+01
      2  -0.146809D+02 -0.190950D+01  0.272764D+01 -0.235041D+00  0.323701D+01
      3   0.407444D+02 -0.402570D+01 -0.130489D+01 -0.266342D+00 -0.203513D+01
      4  -0.734665D+01  0.111675D+02  0.119219D+02 -0.796418D+01  0.108875D+02
      5  -0.189989D+02 -0.728600D+01 -0.643972D+01  0.823580D+01 -0.525518D+01
      6   0.166290D+02 -0.783258D+01 -0.660561D+01  0.637764D+01 -0.678239D+01
                86            87            88            89            90 
      1  -0.106374D+02  0.510600D+01  0.351286D+00  0.501632D+01 -0.690065D+01
      2   0.140177D+02 -0.515953D+01  0.475808D-01 -0.410484D+01  0.280993D+00
      3  -0.338039D+01  0.535263D-01 -0.398867D+00 -0.911488D+00  0.661966D+01
      4   0.162401D+02 -0.906313D+01 -0.824817D+01 -0.962362D+01  0.997422D+01
      5  -0.751198D+01  0.572218D+01  0.771513D+01  0.728187D+01 -0.967344D+01
      6  -0.149700D+02  0.123508D+02  0.746204D+01  0.134047D+02 -0.140197D+02
                91            92            93            94            95 
      1  -0.293248D+01  0.114454D+01  0.166374D+01  0.107519D+01 -0.331270D+02
      2   0.434776D+01  0.238160D+01 -0.506943D+00  0.210568D+01  0.480727D+02
      3  -0.141528D+01 -0.352614D+01 -0.115680D+01 -0.318087D+01 -0.149457D+02
      4   0.303548D+01  0.984320D+01  0.131627D+01  0.876150D+01  0.195537D+02
      5   0.102080D+01  0.177030D+01  0.163273D+01  0.229429D+01  0.516386D+01
      6   0.372683D+01  0.124406D+00  0.109858D+00  0.134835D+01  0.160369D+02
                96            97            98            99           100 
      1  -0.679674D+01  0.293549D+01 -0.346700D+01 -0.169323D+01  0.395292D+01
      2   0.647649D+01 -0.277519D+01  0.325440D+01  0.360569D+01  0.148551D+01
      3   0.320255D+00 -0.160299D+00  0.212594D+00 -0.191246D+01 -0.543843D+01
      4   0.335509D+01  0.127586D+01  0.897836D-01  0.100532D+01  0.748253D+01
      5   0.317416D+01  0.203354D+01  0.124612D+01 -0.127541D+00  0.300330D+01
      6   0.946215D+01  0.317986D+01  0.566997D+01  0.195641D+01  0.870675D+00
               101           102           103           104           105 
      1   0.650609D+01  0.299881D+01  0.868476D+01 -0.750270D+01 -0.916556D+00
      2  -0.189554D+01 -0.118647D+01  0.461051D+01  0.314359D+02  0.192974D+01
      3  -0.461056D+01 -0.181234D+01 -0.132953D+02 -0.239332D+02 -0.101318D+01
      4   0.983844D+01  0.934003D+00  0.263594D+02  0.561671D+02  0.370700D+01
      5   0.249931D+00  0.287611D+01  0.857489D+00  0.469837D+01  0.762797D+01
      6   0.179047D+00  0.170509D+00  0.428573D+00  0.301691D+00  0.646801D+01
               106           107           108           109           110 
      1   0.493134D+01 -0.979565D+00  0.529393D+00  0.842679D+02 -0.128623D+02
      2  -0.125626D+01  0.268186D+01  0.665783D+00 -0.463258D+02  0.827274D+01
      3  -0.367508D+01 -0.170230D+01 -0.119518D+01 -0.379421D+02  0.458952D+01
      4   0.317325D+01  0.657553D+01  0.623927D+01 -0.221944D+01  0.100824D+02
      5   0.708569D+01  0.605072D+01 -0.194219D-01  0.262081D+02 -0.492238D+01
      6   0.245964D+01  0.655742D+01  0.125294D+01  0.138806D+01 -0.167428D+00
               111           112           113           114           115 
      1   0.194952D+02 -0.340751D+02  0.108037D+02 -0.532303D+01  0.377859D+02
      2  -0.113177D+02  0.197268D+02 -0.458360D+01  0.398142D+01 -0.213020D+02
      3  -0.817750D+01  0.143483D+02 -0.622007D+01  0.134161D+01 -0.164839D+02
      4  -0.237331D+01  0.115465D+02 -0.626310D+01  0.640735D+01 -0.536478D+00
      5   0.175945D+02 -0.821334D+01  0.758227D+01 -0.800335D+01  0.309328D+02
      6   0.196288D+01  0.151640D+01 -0.381992D+00  0.621338D+00  0.292383D+01
               116           117           118           119           120 
      1  -0.503615D+01  0.190348D+02  0.266502D+02 -0.285138D+01 -0.120015D+02
      2   0.432793D+01 -0.151602D+02 -0.185439D+02  0.200043D+01  0.931617D+01
      3   0.708220D+00 -0.387453D+01 -0.810629D+01  0.850946D+00  0.268537D+01
      4   0.841094D+01 -0.301433D+01  0.253980D+01  0.314846D+01 -0.231469D+01
      5  -0.653256D+01  0.141928D+02 -0.161797D+02 -0.151484D+00  0.190772D+02
      6   0.104350D+01  0.471873D+00 -0.320067D+01 -0.618464D+00  0.305445D+01
               121           122           123           124           125 
      1  -0.133898D+02  0.156426D+01  0.232188D+01 -0.229928D+02 -0.185065D+01
      2   0.971814D+01 -0.874712D+00 -0.388040D+01  0.209028D+02 -0.102345D+01
      3   0.367168D+01 -0.689544D+00  0.155851D+01  0.208999D+01  0.287410D+01
      4   0.591218D+01  0.163603D+01 -0.635172D+01 -0.851367D+01 -0.898925D+01
      5   0.393401D+01 -0.646372D+01 -0.639940D+01  0.409034D+02 -0.238326D+01
      6  -0.179705D+01 -0.211662D+00  0.326285D+01  0.768385D+01  0.406281D+01
               126           127           128           129           130 
      1   0.140032D+02  0.222417D+02 -0.657636D+01 -0.938202D+01 -0.457260D+01
      2  -0.253913D+02 -0.902718D+01 -0.135295D+00  0.468182D+01 -0.208000D+01
      3   0.113880D+02 -0.132145D+02  0.671165D+01  0.470019D+01  0.665260D+01
      4   0.168838D+01 -0.233546D+02  0.174765D+02  0.100525D+02  0.159553D+02
      5  -0.544972D+02 -0.173662D+02  0.681353D+01  0.126576D+02  0.540885D+01
      6  -0.116041D+02  0.924155D+01 -0.453426D+01 -0.690822D+01 -0.450967D+01
               131           132           133           134           135 
      1   0.195104D+01  0.222847D+00 -0.118808D+02  0.621730D+00  0.363429D+01
      2   0.402375D+01  0.227213D+01  0.685407D+01  0.189156D+01 -0.406266D+01
      3  -0.597479D+01 -0.249498D+01  0.502675D+01 -0.251329D+01  0.428369D+00
      4  -0.138254D+02 -0.757298D+01  0.141104D+02 -0.116738D+02 -0.140801D+02
      5  -0.692043D+01 -0.647741D+01  0.183173D+02 -0.113657D+02 -0.155521D+02
      6   0.611300D+01  0.727923D+01 -0.111728D+02  0.105782D+02  0.955427D+01
               136           137           138           139           140 
      1   0.605703D+01 -0.485093D+01  0.329398D+01 -0.105031D+01 -0.472901D+01
      2  -0.218173D+01  0.768403D+00 -0.231054D+01 -0.296086D+01  0.919484D+01
      3  -0.387530D+01  0.408252D+01 -0.983440D+00  0.401118D+01 -0.446583D+01
      4  -0.135606D+02  0.126820D+02 -0.611464D+01  0.137627D+02 -0.161152D+02
      5   0.800479D+01 -0.486504D+01  0.986674D+01 -0.504794D+01  0.983519D+01
      6  -0.640774D+01  0.437783D+01 -0.567890D+01  0.674110D+01 -0.136613D+02
               141           142           143           144           145 
      1   0.312040D+01  0.385567D+01  0.536766D+01 -0.278724D+01  0.358082D+00
      2  -0.469676D+01 -0.234678D+01 -0.606190D+01 -0.310335D+01 -0.372402D+01
      3   0.157636D+01 -0.150889D+01  0.694239D+00  0.589059D+01  0.336594D+01
      4   0.103603D+02 -0.138832D+02  0.183913D+02 -0.171150D+02  0.566671D+00
      5  -0.836579D+01  0.174750D+02 -0.151876D+02  0.214027D+02  0.101425D+01
      6   0.127677D+02 -0.145328D+02  0.198724D+02 -0.220526D+02  0.114860D+01
               146           147           148           149           150 
      1  -0.816718D+00 -0.905587D+00  0.346750D+00 -0.477777D+01 -0.103756D+01
      2   0.158008D+01 -0.567306D+00  0.107811D+01  0.385976D+01  0.391671D+01
      3  -0.763363D+00  0.147289D+01 -0.142487D+01  0.918014D+00 -0.287915D+01
      4   0.215855D+01  0.191237D+01 -0.338286D+00  0.517162D+00  0.311308D-02
      5  -0.296823D+00  0.551695D+01 -0.174883D+00  0.233524D+00 -0.273199D-01
      6   0.106150D+01  0.142689D+01  0.382197D+00  0.271309D+01  0.257327D+01
               151           152           153           154           155 
      1  -0.881702D+00 -0.643098D+01 -0.192414D+02 -0.177743D+01 -0.324820D+01
      2  -0.143278D+01  0.445645D+01 -0.939903D+01  0.675558D+01  0.475095D+01
      3   0.231448D+01  0.197453D+01  0.286405D+02 -0.497815D+01 -0.150275D+01
      4   0.343959D+01  0.423547D+00  0.250129D+01  0.518919D-01  0.103080D+02
      5   0.375823D+01 -0.510588D+00 -0.657602D+00  0.195391D+00  0.904528D+00
      6   0.145444D+01  0.827498D+01  0.228774D+02 -0.531693D+00  0.404284D+00
               156           157           158           159           160 
      1  -0.316157D+00 -0.172869D+01 -0.475179D+02 -0.234384D+01  0.845431D-01
      2  -0.539493D-01  0.182093D+01  0.796088D+02  0.246549D+01 -0.108109D-01
      3   0.370107D+00 -0.922340D-01 -0.320909D+02 -0.121656D+00 -0.737321D-01
      4  -0.251424D+00  0.758267D+01 -0.249560D+01 -0.731694D-01 -0.957284D+00
      5   0.148434D+01  0.348810D+00  0.715009D+00 -0.243682D+00  0.566821D+00
      6   0.870791D+00  0.285980D+00  0.666851D+01  0.770471D+01  0.781388D+00
               161           162           163           164           165 
      1   0.211882D+01 -0.630106D+01  0.196243D+02 -0.230339D+01 -0.544938D+01
      2  -0.440388D+01  0.620170D+01 -0.305201D+01  0.980810D+01  0.850727D+01
      3   0.228506D+01  0.993596D-01 -0.165723D+02 -0.750471D+01 -0.305789D+01
      4   0.598608D+00 -0.156258D-02 -0.526595D+01 -0.101844D+02  0.755602D+00
      5  -0.553861D+00  0.623204D-03 -0.314467D+01 -0.126526D+01 -0.153715D+02
      6   0.973794D+01  0.111834D+01  0.232268D+01 -0.111642D+02 -0.306102D+01
               166           167           168           169           170 
      1  -0.203887D+01 -0.117918D+01 -0.301162D+00 -0.765203D+01  0.121449D+01
      2   0.143705D+02 -0.604412D+01  0.149124D+02  0.105448D+02  0.104588D+02
      3  -0.123317D+02  0.722330D+01 -0.146112D+02 -0.289277D+01 -0.116733D+02
      4  -0.168837D+02  0.224112D+02 -0.123466D+02  0.455911D+00 -0.681608D+01
      5  -0.357752D+01 -0.188221D+02 -0.132683D+02 -0.206321D+02 -0.105222D+02
      6  -0.151126D+02  0.164333D+02 -0.950275D+01 -0.464721D+01 -0.539693D+01
               171           172           173           174           175 
      1  -0.106040D+02 -0.470391D+01 -0.985309D+01 -0.226865D+02 -0.146667D+02
      2   0.892119D+01 -0.118294D+01  0.926374D+01  0.103926D+02  0.149725D+02
      3   0.168285D+01  0.588686D+01  0.589357D+00  0.122938D+02 -0.305834D+00
      4  -0.777803D+01 -0.861648D+01 -0.254182D+02 -0.610570D+01 -0.417653D+02
      5  -0.821408D+01 -0.249826D+02 -0.619675D+01 -0.901211D+01 -0.100726D+02
      6  -0.126053D+02  0.320976D+00  0.202429D+01 -0.432176D+00  0.340350D+01
               176           177           178           179           180 
      1  -0.247986D+02 -0.997111D+01 -0.301978D+02 -0.977754D+01 -0.803487D+01
      2   0.407922D+01  0.210032D+01  0.111199D+02  0.158465D+01  0.133598D+02
      3   0.207194D+02  0.787079D+01  0.190779D+02  0.819289D+01 -0.532494D+01
      4   0.339280D+02 -0.290262D+01 -0.983893D+01 -0.403839D+01 -0.183514D+02
      5  -0.125924D+01 -0.181943D+02 -0.156855D+02 -0.177883D+02  0.286432D+02
      6  -0.424353D+01 -0.769902D+00 -0.133559D+01  0.127535D+01  0.143814D+01
               181           182           183           184           185 
      1  -0.133568D+02 -0.239046D+01  0.106032D+02 -0.777078D+00 -0.350135D+01
      2   0.399781D+01 -0.272721D-02  0.130053D+01 -0.898474D+00  0.256839D+01
      3   0.935894D+01  0.239319D+01 -0.119037D+02  0.167555D+01  0.932959D+00
      4   0.777336D+01  0.150270D+01 -0.906042D+00  0.334104D+01 -0.124128D+01
      5  -0.125908D+02  0.123919D+00  0.261384D+01 -0.564393D-01  0.530725D+00
      6  -0.192615D+01 -0.375859D+01  0.500710D+01 -0.147626D+01 -0.279190D+01
               186           187           188           189           190 
      1   0.165323D+01  0.745312D+01  0.152812D+01 -0.694663D+01  0.772889D+01
      2  -0.239747D+01  0.581799D+00 -0.116119D+01 -0.278243D+01 -0.124703D+02
      3   0.744245D+00 -0.803492D+01 -0.366934D+00  0.972906D+01  0.474136D+01
      4   0.100094D+01 -0.103287D+01 -0.363095D+00  0.263784D+01  0.422994D+01
      5   0.224159D+01  0.597435D+01  0.161347D+01 -0.308470D+01  0.196271D+02
      6   0.375459D+01  0.312660D+01  0.288108D+01 -0.155465D+01  0.364300D+01
               191           192           193           194           195 
      1   0.334959D+01  0.338569D+01  0.477251D+01 -0.309562D+00 -0.319542D+01
      2  -0.508026D+01 -0.122865D+02 -0.898639D+01 -0.309573D+01 -0.108750D+02
      3   0.173067D+01  0.890078D+01  0.421389D+01  0.340529D+01  0.140705D+02
      4   0.618247D+01  0.231332D+01  0.807098D+01  0.572909D+01  0.791962D+01
      5   0.564330D+01  0.211204D+02  0.123406D+02  0.110364D+02  0.167126D+02
      6   0.583581D+01  0.271044D+01  0.783333D+01  0.795101D+01  0.101039D+02
               196           197           198           199           200 
      1   0.233119D+01 -0.183126D+01 -0.660368D+01  0.412316D+01 -0.365497D+01
      2  -0.123693D+02 -0.616892D+01 -0.206741D+02 -0.776762D-01 -0.263566D+01
      3   0.100381D+02  0.800018D+01  0.272777D+02 -0.404549D+01  0.629063D+01
      4   0.263128D+01  0.534073D+01  0.588466D+01 -0.121124D+02  0.148320D+02
      5   0.201533D+02  0.825101D+01  0.282957D+02  0.870195D+01 -0.768408D+01
      6   0.387785D+01  0.747410D+01  0.789268D+01 -0.703190D+01  0.885729D+01
               201           202           203           204           205 
      1   0.352561D+00 -0.247374D+01 -0.111298D+02  0.676776D+01 -0.856852D+00
      2  -0.214272D+01 -0.552191D+01  0.236954D+02 -0.488733D+01 -0.173985D+01
      3   0.179016D+01  0.799565D+01 -0.125656D+02 -0.188043D+01  0.259670D+01
      4  -0.505751D+01  0.183538D+02 -0.319488D+02  0.110580D+02 -0.189054D+01
      5   0.883110D+01 -0.907253D+01  0.146325D+02 -0.895307D+01  0.642508D+01
      6  -0.426691D+01  0.117988D+02 -0.284871D+02  0.158047D+02 -0.340982D+01
               206           207           208           209           210 
      1   0.380790D+01 -0.211732D+01  0.384914D+01  0.414200D+01 -0.687186D+01
      2  -0.527620D+00  0.373043D+00 -0.479907D+01 -0.269570D+01  0.523119D+01
      3  -0.328028D+01  0.174428D+01  0.949929D+00 -0.144630D+01  0.164067D+01
      4   0.413253D+01 -0.511534D+01  0.417390D+01  0.395705D+01 -0.115728D+01
      5  -0.507024D+01  0.576847D+01 -0.825076D+01 -0.173740D+01  0.111308D+02
      6   0.996498D+01 -0.607612D+01 -0.957042D+00 -0.418813D+00  0.239876D+00
               211           212           213           214           215 
      1   0.746708D+01  0.208216D+01  0.515357D+00 -0.124579D+02  0.146787D+01
      2  -0.535713D+01 -0.138595D+01  0.292641D+01  0.117033D+02  0.220759D+01
      3  -0.210995D+01 -0.696215D+00 -0.344177D+01  0.754644D+00 -0.367545D+01
      4   0.831778D+01  0.289332D+01 -0.767735D+01 -0.175314D+01 -0.841494D+01
      5  -0.468599D+01 -0.742884D+01  0.124182D+02  0.227831D+02  0.979240D+01
      6  -0.185888D+01 -0.226352D+01  0.498568D+01  0.559969D+00  0.469905D+01
               216           217           218           219           220 
      1   0.106483D+01  0.226735D+02 -0.139058D+02  0.124676D+01 -0.242270D+02
      2  -0.184927D+02 -0.661959D+01  0.318266D+01 -0.441326D+00  0.349680D+01
      3   0.174278D+02 -0.160539D+02  0.107231D+02 -0.805432D+00  0.207302D+02
      4   0.100501D+02 -0.200002D+02  0.217079D+02  0.156055D+01  0.385902D+02
      5  -0.470084D+02 -0.458065D+00  0.248346D+01  0.498856D+01  0.586072D+01
      6  -0.176254D+01  0.207686D+01 -0.199260D+01 -0.101067D+01 -0.411675D+01
               221           222           223           224           225 
      1   0.125955D+02  0.233338D+01  0.511676D+01  0.676563D+00  0.356992D+01
      2   0.108184D+02 -0.152685D+01 -0.157598D+01 -0.765111D+00 -0.149428D+01
      3  -0.234139D+02 -0.806530D+00 -0.354078D+01  0.885486D-01 -0.207564D+01
      4  -0.535619D+02 -0.134390D+01  0.906319D+00  0.596457D+00 -0.549435D+01
      5  -0.260194D+01 -0.785296D+01  0.919510D+01 -0.586214D+01 -0.289323D+01
      6   0.672519D+01  0.547346D+01 -0.295672D+01  0.502970D+01  0.406593D+00
               226           227           228           229           230 
      1   0.563995D+02  0.154453D+02  0.161550D+02  0.298491D+02  0.151194D+02
      2  -0.273628D+02 -0.747894D+01 -0.795847D+01 -0.140770D+02 -0.372806D+01
      3  -0.290367D+02 -0.796632D+01 -0.819654D+01 -0.157722D+02 -0.113913D+02
      4   0.180598D+02  0.151068D+02  0.594788D+01  0.252109D+02  0.142510D+02
      5   0.169625D+02  0.535273D+01  0.130619D+02  0.855316D+01  0.725231D+01
      6   0.599760D+00 -0.115256D+00  0.208918D+00  0.607515D+00  0.166839D+01
               231           232           233           234 
      1   0.685369D+01  0.320267D+02  0.656374D+01  0.127336D+02
      2  -0.260514D+01 -0.161610D+02 -0.264338D+01 -0.923697D+01
      3  -0.424855D+01 -0.158657D+02 -0.392037D+01 -0.349662D+01
      4   0.839165D+01  0.971375D+01  0.102246D+02  0.931184D+01
      5   0.113260D+02  0.197938D+02  0.895765D+01  0.148949D+02
      6   0.204596D+01  0.156136D+01  0.164814D+01  0.136812D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 14:50:44 2021, MaxMem= 10737418240 cpu:           25048.2 elap:            1567.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44376 -10.43788 -10.43190 -10.43159 -10.43127
 Alpha  occ. eigenvalues --  -10.43056 -10.42818 -10.42378 -10.42344 -10.42009
 Alpha  occ. eigenvalues --   -1.01297  -0.94133  -0.87926  -0.85580  -0.81895
 Alpha  occ. eigenvalues --   -0.80717  -0.75325  -0.69972  -0.64761  -0.61718
 Alpha  occ. eigenvalues --   -0.59435  -0.57642  -0.56310  -0.54433  -0.53682
 Alpha  occ. eigenvalues --   -0.51498  -0.50992  -0.50163  -0.49202  -0.48827
 Alpha  occ. eigenvalues --   -0.47185  -0.46422  -0.44557  -0.42812  -0.41695
 Alpha  occ. eigenvalues --   -0.38272  -0.35999  -0.31742
 Alpha virt. eigenvalues --    0.04691   0.06299   0.07136   0.07483   0.09144
 Alpha virt. eigenvalues --    0.09296   0.09736   0.10080   0.11586   0.13435
 Alpha virt. eigenvalues --    0.14057   0.14915   0.15288   0.16453   0.16588
 Alpha virt. eigenvalues --    0.17583   0.18076   0.19334   0.19878   0.20097
 Alpha virt. eigenvalues --    0.20819   0.21083   0.21795   0.21934   0.23505
 Alpha virt. eigenvalues --    0.23743   0.24448   0.25230   0.25799   0.26913
 Alpha virt. eigenvalues --    0.27767   0.28715   0.29217   0.29469   0.30591
 Alpha virt. eigenvalues --    0.31595   0.31644   0.32291   0.32654   0.33797
 Alpha virt. eigenvalues --    0.33923   0.34114   0.34542   0.35270   0.36084
 Alpha virt. eigenvalues --    0.36260   0.36494   0.36819   0.37080   0.37583
 Alpha virt. eigenvalues --    0.38002   0.38641   0.38982   0.39149   0.39498
 Alpha virt. eigenvalues --    0.40008   0.40372   0.40550   0.41349   0.41549
 Alpha virt. eigenvalues --    0.42036   0.42303   0.42643   0.43149   0.43342
 Alpha virt. eigenvalues --    0.43826   0.44677   0.45263   0.45540   0.45961
 Alpha virt. eigenvalues --    0.46197   0.47258   0.47485   0.48007   0.48624
 Alpha virt. eigenvalues --    0.48744   0.49764   0.50207   0.50567   0.50681
 Alpha virt. eigenvalues --    0.51434   0.52030   0.52330   0.52821   0.53177
 Alpha virt. eigenvalues --    0.54087   0.54371   0.54669   0.55567   0.56264
 Alpha virt. eigenvalues --    0.56339   0.56881   0.57287   0.57489   0.58302
 Alpha virt. eigenvalues --    0.58736   0.59433   0.59978   0.60228   0.60860
 Alpha virt. eigenvalues --    0.61275   0.61509   0.61863   0.62625   0.63258
 Alpha virt. eigenvalues --    0.64131   0.64698   0.65036   0.65932   0.66613
 Alpha virt. eigenvalues --    0.67889   0.68019   0.68703   0.68857   0.71121
 Alpha virt. eigenvalues --    0.71586   0.72142   0.72903   0.74848   0.75044
 Alpha virt. eigenvalues --    0.75543   0.76760   0.77147   0.79070   0.79357
 Alpha virt. eigenvalues --    0.80081   0.81494   0.81908   0.82954   0.84884
 Alpha virt. eigenvalues --    0.85209   0.86632   0.86772   0.88557   0.90049
 Alpha virt. eigenvalues --    0.90854   0.98687   0.99297   1.01244   1.01734
 Alpha virt. eigenvalues --    1.03000   1.03889   1.04115   1.05099   1.06762
 Alpha virt. eigenvalues --    1.07411   1.08321   1.08757   1.09332   1.10333
 Alpha virt. eigenvalues --    1.10442   1.11816   1.11919   1.12220   1.13985
 Alpha virt. eigenvalues --    1.14739   1.15714   1.16872   1.18253   1.21485
 Alpha virt. eigenvalues --    1.22065   1.22767   1.24356   1.25143   1.25473
 Alpha virt. eigenvalues --    1.27499   1.30163   1.30825   1.33335   1.34453
 Alpha virt. eigenvalues --    1.35881   1.35966   1.37742   1.39223   1.40850
 Alpha virt. eigenvalues --    1.41743   1.42141   1.44081   1.45922   1.46606
 Alpha virt. eigenvalues --    1.47811   1.48654   1.50217   1.50753   1.52981
 Alpha virt. eigenvalues --    1.54001   1.55635   1.58031   1.61670   1.63830
 Alpha virt. eigenvalues --    1.66593   1.71519   1.74992   1.75928   1.76233
 Alpha virt. eigenvalues --    1.78917   1.79309   1.79673   1.80910   1.82899
 Alpha virt. eigenvalues --    1.84943   1.86545   1.88617   1.88973   1.89308
 Alpha virt. eigenvalues --    1.90524   1.91445   1.93449   1.94747   1.97161
 Alpha virt. eigenvalues --    2.00407   2.01250   2.03132   2.05215   2.06027
 Alpha virt. eigenvalues --    2.06655   2.09869   2.10711   2.11236   2.11923
 Alpha virt. eigenvalues --    2.12285   2.13626   2.14809   2.16521   2.16797
 Alpha virt. eigenvalues --    2.17591   2.18971   2.19623   2.22655   2.23707
 Alpha virt. eigenvalues --    2.24905   2.26000   2.26803   2.27970   2.28608
 Alpha virt. eigenvalues --    2.30026   2.32081   2.32479   2.34227   2.35395
 Alpha virt. eigenvalues --    2.37220   2.39063   2.40575   2.41602   2.44673
 Alpha virt. eigenvalues --    2.45903   2.46996   2.48866   2.51189   2.52402
 Alpha virt. eigenvalues --    2.53318   2.57139   2.60265   2.62509   2.63057
 Alpha virt. eigenvalues --    2.63971   2.65404   2.66804   2.68694   2.70955
 Alpha virt. eigenvalues --    2.71917   2.74003   2.74574   2.76343   2.77662
 Alpha virt. eigenvalues --    2.78768   2.81053   2.85153   2.93237   2.93733
 Alpha virt. eigenvalues --    2.98278   2.99344   3.03782   3.04036   3.08162
 Alpha virt. eigenvalues --    3.10751   3.14345   3.16434   3.18906   3.19427
 Alpha virt. eigenvalues --    3.21345   3.21889   3.23787   3.25660   3.27895
 Alpha virt. eigenvalues --    3.29297   3.30605   3.32489   3.35046   3.43568
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.437211   0.378693  -0.037033  -0.098960   0.071744  -0.098896
     2  C    0.378693   6.595312  -0.007696  -0.229723   0.003544   0.087874
     3  C   -0.037033  -0.007696   8.685008  -0.218619  -0.486594  -0.526463
     4  C   -0.098960  -0.229723  -0.218619   7.583579   0.134147   0.163118
     5  C    0.071744   0.003544  -0.486594   0.134147   5.655379  -0.411085
     6  C   -0.098896   0.087874  -0.526463   0.163118  -0.411085   5.562052
     7  C   -0.070990   0.085189  -0.070177  -0.004987   0.026505   0.169631
     8  C   -0.600523  -0.240776  -0.228787   0.152740   0.014031   0.048109
     9  H    0.287362   0.012295  -0.716359  -0.085043   0.011778   0.000710
    10  H   -0.272007  -0.427816   0.004077   0.111551  -0.002913   0.062972
    11  H   -0.431360  -0.060968  -0.201760  -0.145671  -0.108100   0.115308
    12  H    0.007532  -0.000973  -0.112615   0.080280   0.298261   0.023672
    13  H   -0.008952   0.000317   0.055820   0.151866   0.063067  -0.005955
    14  H   -0.000685   0.001454   0.060800   0.085730   0.144591  -0.015497
    15  H    0.007724   0.013952   0.081707  -0.022378  -0.099284   0.160844
    16  H    0.020349  -0.001337   0.013505   0.098530   0.031898   0.091369
    17  H   -0.015580  -0.028084  -0.011657   0.039617   0.002821   0.068034
    18  H    0.012675   0.042330   0.042031   0.000943   0.004016  -0.154373
    19  C   -0.093503  -0.168734  -0.080231   0.003636   0.005103  -0.004638
    20  C   -0.340170  -0.335611   0.075240   0.002533   0.000005  -0.000763
    21  H   -0.133960  -0.082624  -0.120998  -0.003715   0.005405  -0.006377
    22  H    0.030990   0.029763   0.013075  -0.000272  -0.000523   0.000479
    23  H    0.043384   0.006999  -0.001172  -0.005670   0.000596  -0.001279
    24  H   -0.087768  -0.076988   0.005996   0.000241   0.000020   0.000876
    25  H    0.007703   0.054348   0.004509   0.001619  -0.000040  -0.000278
    26  H    0.052755  -0.015303  -0.005105  -0.001685   0.000013  -0.000330
               7          8          9         10         11         12
     1  C   -0.070990  -0.600523   0.287362  -0.272007  -0.431360   0.007532
     2  C    0.085189  -0.240776   0.012295  -0.427816  -0.060968  -0.000973
     3  C   -0.070177  -0.228787  -0.716359   0.004077  -0.201760  -0.112615
     4  C   -0.004987   0.152740  -0.085043   0.111551  -0.145671   0.080280
     5  C    0.026505   0.014031   0.011778  -0.002913  -0.108100   0.298261
     6  C    0.169631   0.048109   0.000710   0.062972   0.115308   0.023672
     7  C    5.663189  -0.184335   0.092254  -0.902877   0.007487   0.002452
     8  C   -0.184335   9.809187  -0.430286  -0.311339   0.065577   0.000401
     9  H    0.092254  -0.430286   2.922304  -0.242162  -0.340639  -0.000798
    10  H   -0.902877  -0.311339  -0.242162   4.319711   0.026192   0.000029
    11  H    0.007487   0.065577  -0.340639   0.026192   2.303137  -0.031702
    12  H    0.002452   0.000401  -0.000798   0.000029  -0.031702   0.750531
    13  H   -0.000827  -0.001365  -0.000791  -0.000141  -0.002472  -0.111621
    14  H    0.001003  -0.005089   0.000115  -0.000263  -0.004181  -0.071626
    15  H   -0.060295   0.002713  -0.002258   0.012892  -0.005708  -0.003167
    16  H    0.018399   0.004440   0.010463  -0.018130  -0.009517   0.001678
    17  H    0.139516  -0.059445  -0.002372   0.143178   0.002094   0.000024
    18  H    0.482545  -0.018571   0.013556  -0.483790  -0.004767   0.000019
    19  C   -0.114884  -0.786084   0.144411   0.160135  -0.012794   0.000109
    20  C    0.083581   0.183096  -0.227678  -0.232377   0.010500   0.000003
    21  H   -0.028924   0.120858   0.009796   0.015621  -0.010573   0.000910
    22  H   -0.011236   0.295830  -0.006045   0.004668   0.000241  -0.000039
    23  H    0.013809   0.263860   0.008242  -0.004421  -0.005580  -0.000017
    24  H    0.001870   0.156451  -0.065306  -0.040970   0.000295  -0.000000
    25  H   -0.003005   0.245309  -0.014504   0.019287   0.001165   0.000003
    26  H    0.008189   0.261958   0.021027  -0.040914  -0.000599  -0.000000
              13         14         15         16         17         18
     1  C   -0.008952  -0.000685   0.007724   0.020349  -0.015580   0.012675
     2  C    0.000317   0.001454   0.013952  -0.001337  -0.028084   0.042330
     3  C    0.055820   0.060800   0.081707   0.013505  -0.011657   0.042031
     4  C    0.151866   0.085730  -0.022378   0.098530   0.039617   0.000943
     5  C    0.063067   0.144591  -0.099284   0.031898   0.002821   0.004016
     6  C   -0.005955  -0.015497   0.160844   0.091369   0.068034  -0.154373
     7  C   -0.000827   0.001003  -0.060295   0.018399   0.139516   0.482545
     8  C   -0.001365  -0.005089   0.002713   0.004440  -0.059445  -0.018571
     9  H   -0.000791   0.000115  -0.002258   0.010463  -0.002372   0.013556
    10  H   -0.000141  -0.000263   0.012892  -0.018130   0.143178  -0.483790
    11  H   -0.002472  -0.004181  -0.005708  -0.009517   0.002094  -0.004767
    12  H   -0.111621  -0.071626  -0.003167   0.001678   0.000024   0.000019
    13  H    0.730681   0.095885  -0.002166   0.000775   0.001319  -0.000278
    14  H    0.095885   0.583474   0.006188   0.002262   0.000137   0.000475
    15  H   -0.002166   0.006188   0.900081  -0.011959  -0.043228  -0.021116
    16  H    0.000775   0.002262  -0.011959   0.719383   0.005643  -0.021976
    17  H    0.001319   0.000137  -0.043228   0.005643   1.219513  -0.336839
    18  H   -0.000278   0.000475  -0.021116  -0.021976  -0.336839   1.369663
    19  C    0.000162   0.001109  -0.000646  -0.002021   0.031822  -0.009528
    20  C    0.000011   0.000037  -0.000150  -0.001037   0.003031   0.009445
    21  H   -0.000606  -0.003124   0.003478  -0.000680  -0.015176  -0.001781
    22  H    0.000009   0.000075   0.000207  -0.000077  -0.001918  -0.001152
    23  H    0.000003   0.000162  -0.000076   0.000022  -0.000845   0.000319
    24  H    0.000001   0.000001   0.000008  -0.000081   0.000348  -0.000058
    25  H   -0.000000  -0.000001   0.000001   0.000021   0.000619  -0.000368
    26  H   -0.000000   0.000000  -0.000020   0.000009  -0.001731   0.001807
              19         20         21         22         23         24
     1  C   -0.093503  -0.340170  -0.133960   0.030990   0.043384  -0.087768
     2  C   -0.168734  -0.335611  -0.082624   0.029763   0.006999  -0.076988
     3  C   -0.080231   0.075240  -0.120998   0.013075  -0.001172   0.005996
     4  C    0.003636   0.002533  -0.003715  -0.000272  -0.005670   0.000241
     5  C    0.005103   0.000005   0.005405  -0.000523   0.000596   0.000020
     6  C   -0.004638  -0.000763  -0.006377   0.000479  -0.001279   0.000876
     7  C   -0.114884   0.083581  -0.028924  -0.011236   0.013809   0.001870
     8  C   -0.786084   0.183096   0.120858   0.295830   0.263860   0.156451
     9  H    0.144411  -0.227678   0.009796  -0.006045   0.008242  -0.065306
    10  H    0.160135  -0.232377   0.015621   0.004668  -0.004421  -0.040970
    11  H   -0.012794   0.010500  -0.010573   0.000241  -0.005580   0.000295
    12  H    0.000109   0.000003   0.000910  -0.000039  -0.000017  -0.000000
    13  H    0.000162   0.000011  -0.000606   0.000009   0.000003   0.000001
    14  H    0.001109   0.000037  -0.003124   0.000075   0.000162   0.000001
    15  H   -0.000646  -0.000150   0.003478   0.000207  -0.000076   0.000008
    16  H   -0.002021  -0.001037  -0.000680  -0.000077   0.000022  -0.000081
    17  H    0.031822   0.003031  -0.015176  -0.001918  -0.000845   0.000348
    18  H   -0.009528   0.009445  -0.001781  -0.001152   0.000319  -0.000058
    19  C    6.189302  -0.608650   0.536195  -0.174909  -0.108158  -0.018972
    20  C   -0.608650   5.998222  -0.033636   0.007060   0.006027   0.468880
    21  H    0.536195  -0.033636   1.098334  -0.095376  -0.121413  -0.002253
    22  H   -0.174909   0.007060  -0.095376   0.779304  -0.048291  -0.000483
    23  H   -0.108158   0.006027  -0.121413  -0.048291   0.882216   0.000588
    24  H   -0.018972   0.468880  -0.002253  -0.000483   0.000588   0.755224
    25  H    0.025640  -0.124040   0.001834   0.003280  -0.008933  -0.090754
    26  H    0.006064  -0.037441   0.000640  -0.001375  -0.001161  -0.065646
              25         26
     1  C    0.007703   0.052755
     2  C    0.054348  -0.015303
     3  C    0.004509  -0.005105
     4  C    0.001619  -0.001685
     5  C   -0.000040   0.000013
     6  C   -0.000278  -0.000330
     7  C   -0.003005   0.008189
     8  C    0.245309   0.261958
     9  H   -0.014504   0.021027
    10  H    0.019287  -0.040914
    11  H    0.001165  -0.000599
    12  H    0.000003  -0.000000
    13  H   -0.000000  -0.000000
    14  H   -0.000001   0.000000
    15  H    0.000001  -0.000020
    16  H    0.000021   0.000009
    17  H    0.000619  -0.001731
    18  H   -0.000368   0.001807
    19  C    0.025640   0.006064
    20  C   -0.124040  -0.037441
    21  H    0.001834   0.000640
    22  H    0.003280  -0.001375
    23  H   -0.008933  -0.001161
    24  H   -0.090754  -0.065646
    25  H    0.764788  -0.030390
    26  H   -0.030390   0.769521
 Mulliken charges:
               1
     1  C    0.932264
     2  C    0.364563
     3  C   -0.216500
     4  C   -1.793409
     5  C    0.635615
     6  C    0.670885
     7  C    0.656915
     8  C   -2.757961
     9  H   -0.400075
    10  H   -0.900192
    11  H   -0.155605
    12  H    0.166656
    13  H    0.035257
    14  H    0.116966
    15  H    0.082656
    16  H    0.048070
    17  H   -0.140842
    18  H    0.074772
    19  C    1.080063
    20  C    1.093881
    21  H   -0.131857
    22  H    0.176713
    23  H    0.080787
    24  H    0.058478
    25  H    0.142184
    26  H    0.079716
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.532189
     2  C   -0.535630
     3  C   -0.372106
     4  C   -1.793409
     5  C    0.954494
     6  C    0.801610
     7  C    0.590846
     8  C   -2.757961
    19  C    1.205706
    20  C    1.374259
 Electronic spatial extent (au):  <R**2>=           1604.2447
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1593    Y=              0.2920    Z=              0.0920  Tot=              0.3451
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.1409   YY=            -62.4410   ZZ=            -64.0050
   XY=             -0.3057   XZ=             -1.0668   YZ=              0.0277
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7214   YY=              0.4213   ZZ=             -1.1427
   XY=             -0.3057   XZ=             -1.0668   YZ=              0.0277
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.4287  YYY=             -0.7560  ZZZ=              0.0403  XYY=             -0.7122
  XXY=              0.5137  XXZ=              1.0288  XZZ=              1.8397  YZZ=              1.8829
  YYZ=             -1.7883  XYZ=             -0.1834
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1487.8765 YYYY=           -441.7084 ZZZZ=           -307.0270 XXXY=             -0.3666
 XXXZ=              2.9948 YYYX=              2.1106 YYYZ=             -1.0135 ZZZX=             -9.0921
 ZZZY=              1.3737 XXYY=           -321.3355 XXZZ=           -295.4949 YYZZ=           -128.4881
 XXYZ=             -0.8633 YYXZ=              1.0126 ZZXY=             -0.7200
 N-N= 5.488339666672D+02 E-N=-1.998091204204D+03  KE= 3.850581881691D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 14:50:45 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2765    1.2766       -2.6155   -2.6202
 2     -1.2765   -1.2766       -0.6691   -0.6694      -16.1861  -16.2022
 3      2.6155    2.6202       21.7174   21.7266        0.6676    0.6694
 4      0.6691    0.6694        0.0000    0.0000        2.6220    2.6202
 5     -5.5313   -5.5244       -2.6220   -2.6202        1.2800    1.2766
 6     -0.6676   -0.6694       -1.2800   -1.2766       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8297   -3.8297       -7.8606   -7.8606
 2      2.0081    2.0081        0.0000    0.0000       -7.8606   -7.8606
 3      2.0081    2.0081       -3.8297   -3.8297        0.0000    0.0000
 4     -3.8297   -3.8297       -2.0081   -2.0081      -48.6067  -48.6067
 5      7.8606    7.8606       65.1799   65.1799        2.0081    2.0081
 6    -16.5732  -16.5732       -7.8606   -7.8606        3.8297    3.8297
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0245    0.0000       -4.6688   -5.1062       10.3384   10.4809
 2      4.9757    5.1062        2.7290    2.6775       64.5072   64.8089
 3    -10.3694  -10.4809      -87.1306  -86.9066       -2.8993   -2.6775
 4     -2.7797   -2.6775        0.0951    0.0000      -10.1067  -10.4809
 5     22.0427   22.0976       10.1502   10.4809       -5.1724   -5.1062
 6      2.4043    2.6775        5.4361    5.1062        0.0953    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3699    0.0000      -16.6253  -17.0463      -26.0797  -25.9661
 2     16.2776   17.0463       17.1931   17.6659        2.1044    2.6725
 3     25.8488   25.9661       24.5741   24.5534      -18.4371  -17.6659
 4    -17.4846  -17.6659       -0.3421    0.0000       26.0571   25.9661
 5    -26.5439  -27.2259      -25.6627  -25.9661      -16.9125  -17.0463
 6     18.0453   17.6659       16.8147   17.0463        0.0388    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.7046  -28.8486       25.7647   25.5463       20.6754   20.5365
 2    -49.6076  -49.4418       12.5510   12.3893       20.6093   20.5365
 3    -49.2083  -49.4418       25.4296   25.5463       29.3695   29.0562
 4     12.2348   13.1570       19.9401   20.5933       20.0621   20.7435
 5      8.4845    8.5197       34.2140   34.4869      -20.7308  -20.5933
 6    -53.9930  -55.2304       -8.0341   -8.5197      -12.9057  -13.1570
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.3908                 0.9223                 0.4651
  Dep-P Fr= 1--      0.6596                 0.6155                 0.6609
  Dep-U Fr= 1--      0.7949                 0.7620                 0.7958
 Alpha2 Fr= 1--      0.0022                 0.0023                 0.0007
 Beta2  Fr= 1--      0.1842                 0.1171                 0.0617
 AlphaG Fr= 1--     -0.0062                -0.0066                -0.0154
 Gamma2 Fr= 1--      0.1706                 0.0984                -0.1575
 Delta2 Fr= 1--     -0.0025                 0.1569                 0.1341
 Raman1 Fr= 1--       5.563                  3.689                  1.860
 ROA1   Fr= 1--      16.299                 14.470                -10.826
 CID1   Fr= 1--       2.930                  3.923                 -5.820
 Raman2 Fr= 1--       2.211                  1.405                  0.740
 ROA2   Fr= 1--       4.115                  1.107                 -4.852
 CID2   Fr= 1--       1.861                  0.787                 -6.555
 Raman3 Fr= 1--       4.422                  2.811                  1.480
 ROA3   Fr= 1--      16.299                 14.470                -10.826
 CID3   Fr= 1--       3.686                  5.148                 -7.313
 RC180  Fr= 1--       0.590                  0.524                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.1964                 0.0752                 0.2000
  Dep-P Fr= 1--      0.6958                 0.5996                 0.6264
  Dep-U Fr= 1--      0.8206                 0.7497                 0.7703
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0269                 0.0094                 0.0257
 AlphaG Fr= 1--      0.0013                 0.0002                -0.0012
 Gamma2 Fr= 1--      0.2974                -0.0625                 0.0613
 Delta2 Fr= 1--     -0.0716                -0.0054                -0.0134
 Raman1 Fr= 1--       0.786                  0.301                  0.800
 ROA1   Fr= 1--      26.260                 -6.172                  5.456
 CID1   Fr= 1--      33.419                -20.525                  6.819
 Raman2 Fr= 1--       0.322                  0.113                  0.308
 ROA2   Fr= 1--       7.711                 -1.456                  1.579
 CID2   Fr= 1--      23.915                -12.917                  5.123
 Raman3 Fr= 1--       0.645                  0.225                  0.616
 ROA3   Fr= 1--      26.260                 -6.172                  5.456
 CID3   Fr= 1--      40.725                -27.380                  8.852
 RC180  Fr= 1--       0.641                  0.499                  0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.5175                 1.7654                 2.0057
  Dep-P Fr= 1--      0.7491                 0.1357                 0.4241
  Dep-U Fr= 1--      0.8566                 0.2390                 0.5956
 Alpha2 Fr= 1--      0.0000                 0.0283                 0.0136
 Beta2  Fr= 1--      0.0739                 0.0703                 0.1991
 AlphaG Fr= 1--      0.0004                 0.0734                -0.0068
 Gamma2 Fr= 1--      0.3495                 0.3913                 0.5396
 Delta2 Fr= 1--      0.3110                 0.0324                -0.0639
 Raman1 Fr= 1--       2.070                  7.062                  8.023
 ROA1   Fr= 1--      43.502                 38.601                 49.758
 CID1   Fr= 1--      21.015                  5.466                  6.202
 Raman2 Fr= 1--       0.887                  0.844                  2.389
 ROA2   Fr= 1--       5.899                  9.131                 13.462
 CID2   Fr= 1--       6.653                 10.821                  5.635
 Raman3 Fr= 1--       1.773                  1.688                  4.778
 ROA3   Fr= 1--      43.502                 38.601                 49.758
 CID3   Fr= 1--      24.534                 22.872                 10.414
 RC180  Fr= 1--       0.713                 -0.522                  0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.3139                 1.7834                 4.7153
  Dep-P Fr= 1--      0.2916                 0.7439                 0.2163
  Dep-U Fr= 1--      0.4515                 0.8531                 0.3557
 Alpha2 Fr= 1--      0.0138                 0.0002                 0.0613
 Beta2  Fr= 1--      0.0989                 0.2536                 0.2795
 AlphaG Fr= 1--     -0.0239                -0.0003                 0.1022
 Gamma2 Fr= 1--     -0.3047                 1.3360                 0.2812
 Delta2 Fr= 1--     -0.0895                 0.4501                 0.2250
 Raman1 Fr= 1--       5.255                  7.134                 18.861
 ROA1   Fr= 1--     -32.113                142.654                 34.193
 CID1   Fr= 1--      -6.110                 19.997                  1.813
 Raman2 Fr= 1--       1.186                  3.043                  3.354
 ROA2   Fr= 1--      -6.596                 28.463                  4.948
 CID2   Fr= 1--      -5.560                  9.353                  1.475
 Raman3 Fr= 1--       2.373                  6.086                  6.709
 ROA3   Fr= 1--     -32.113                142.654                 34.193
 CID3   Fr= 1--     -13.534                 23.440                  5.097
 RC180  Fr= 1--      -0.097                  0.706                 -0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.2857                 3.0005                 1.5730
  Dep-P Fr= 1--      0.5402                 0.5736                 0.2141
  Dep-U Fr= 1--      0.7014                 0.7290                 0.3527
 Alpha2 Fr= 1--      0.0092                 0.0100                 0.0206
 Beta2  Fr= 1--      0.2672                 0.3646                 0.0925
 AlphaG Fr= 1--     -0.0022                 0.0153                 0.0553
 Gamma2 Fr= 1--      0.5370                -0.8236                 0.1349
 Delta2 Fr= 1--      0.0569                -0.5687                -0.1572
 Raman1 Fr= 1--       9.143                 12.002                  6.292
 ROA1   Fr= 1--      53.370                -97.260                  7.921
 CID1   Fr= 1--       5.837                 -8.104                  1.259
 Raman2 Fr= 1--       3.207                  4.375                  1.110
 ROA2   Fr= 1--      12.433                -15.215                  4.495
 CID2   Fr= 1--       3.877                 -3.478                  4.050
 Raman3 Fr= 1--       6.413                  8.750                  2.219
 ROA3   Fr= 1--      53.370                -97.260                  7.921
 CID3   Fr= 1--       8.322                -11.115                  3.569
 RC180  Fr= 1--       0.403                  0.458                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      7.6644                 8.7861                 7.0997
  Dep-P Fr= 1--      0.2863                 0.0191                 0.2547
  Dep-U Fr= 1--      0.4452                 0.0374                 0.4059
 Alpha2 Fr= 1--      0.0819                 0.1867                 0.0830
 Beta2  Fr= 1--      0.5687                 0.0548                 0.4804
 AlphaG Fr= 1--     -0.1352                -0.3265                 0.2653
 Gamma2 Fr= 1--      0.1798                -1.0759                -3.3073
 Delta2 Fr= 1--      0.2343                -0.2620                -0.9343
 Raman1 Fr= 1--      30.658                 35.144                 28.399
 ROA1   Fr= 1--      24.761               -111.672               -347.398
 CID1   Fr= 1--       0.808                 -3.178                -12.233
 Raman2 Fr= 1--       6.824                  0.657                  5.764
 ROA2   Fr= 1--       2.441                -23.725                -71.900
 CID2   Fr= 1--       0.358                -36.098                -12.474
 Raman3 Fr= 1--      13.649                  1.315                 11.528
 ROA3   Fr= 1--      24.761               -111.672               -347.398
 CID3   Fr= 1--       1.814                -84.954                -30.134
 RC180  Fr= 1--      -0.110                 -0.925                 -0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      4.3451                 4.3464                 7.8905
  Dep-P Fr= 1--      0.6663                 0.1480                 0.3043
  Dep-U Fr= 1--      0.7997                 0.2579                 0.4666
 Alpha2 Fr= 1--      0.0065                 0.0675                 0.0799
 Beta2  Fr= 1--      0.5791                 0.1868                 0.6136
 AlphaG Fr= 1--     -0.0873                -0.2666                 0.2722
 Gamma2 Fr= 1--      2.6867                 0.7796                -1.7784
 Delta2 Fr= 1--      0.2816                -0.4176                -0.6182
 Raman1 Fr= 1--      17.380                 17.386                 31.562
 ROA1   Fr= 1--     266.935                 61.473               -190.511
 CID1   Fr= 1--      15.359                  3.536                 -6.036
 Raman2 Fr= 1--       6.950                  2.242                  7.363
 ROA2   Fr= 1--      62.228                 22.051                -37.737
 CID2   Fr= 1--       8.954                  9.835                 -5.125
 Raman3 Fr= 1--      13.899                  4.484                 14.726
 ROA3   Fr= 1--     266.935                 61.473               -190.511
 CID3   Fr= 1--      19.205                 13.710                -12.937
 RC180  Fr= 1--       0.599                 -0.484                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      6.8993                 3.7608                 1.7292
  Dep-P Fr= 1--      0.4583                 0.6136                 0.2081
  Dep-U Fr= 1--      0.6285                 0.7606                 0.3445
 Alpha2 Fr= 1--      0.0409                 0.0094                 0.0230
 Beta2  Fr= 1--      0.7227                 0.4767                 0.0993
 AlphaG Fr= 1--     -0.0482                -0.0008                 0.0166
 Gamma2 Fr= 1--      0.9808                 1.8798                -0.9662
 Delta2 Fr= 1--      1.1466                 0.1429                -0.3455
 Raman1 Fr= 1--      27.597                 15.043                  6.917
 ROA1   Fr= 1--     130.845                185.038               -103.809
 CID1   Fr= 1--       4.741                 12.301                -15.008
 Raman2 Fr= 1--       8.673                  5.721                  1.191
 ROA2   Fr= 1--      14.366                 43.973                -20.424
 CID2   Fr= 1--       1.656                  7.687                -17.144
 Raman3 Fr= 1--      17.346                 11.441                  2.383
 ROA3   Fr= 1--     130.845                185.038               -103.809
 CID3   Fr= 1--       7.543                 16.173                -43.569
 RC180  Fr= 1--       0.257                  0.521                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     19.3902                 3.7874                 5.7738
  Dep-P Fr= 1--      0.6745                 0.7416                 0.2012
  Dep-U Fr= 1--      0.8056                 0.8516                 0.3350
 Alpha2 Fr= 1--      0.0259                 0.0005                 0.0782
 Beta2  Fr= 1--      2.6035                 0.5376                 0.3224
 AlphaG Fr= 1--     -0.0656                -0.0180                 0.1195
 Gamma2 Fr= 1--     -0.8055                -3.0445                -1.4227
 Delta2 Fr= 1--      0.0181                -1.8230                -0.3777
 Raman1 Fr= 1--      77.561                 15.149                 23.095
 ROA1   Fr= 1--     -76.747               -350.609               -148.669
 CID1   Fr= 1--      -0.990                -23.143                 -6.437
 Raman2 Fr= 1--      31.242                  6.451                  3.869
 ROA2   Fr= 1--     -19.476                -58.484                -31.124
 CID2   Fr= 1--      -0.623                 -9.066                 -8.046
 Raman3 Fr= 1--      62.483                 12.902                  7.737
 ROA3   Fr= 1--     -76.747               -350.609               -148.669
 CID3   Fr= 1--      -1.228                -27.176                -19.215
 RC180  Fr= 1--       0.611                  0.703                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      2.1087                 3.6842                 1.8621
  Dep-P Fr= 1--      0.7497                 0.5284                 0.1216
  Dep-U Fr= 1--      0.8569                 0.6915                 0.2169
 Alpha2 Fr= 1--      0.0000                 0.0158                 0.0309
 Beta2  Fr= 1--      0.3012                 0.4246                 0.0673
 AlphaG Fr= 1--      0.0035                 0.0655                -0.0837
 Gamma2 Fr= 1--     -0.4303                -0.2498                 0.9414
 Delta2 Fr= 1--      1.0966                -0.0478                 0.2817
 Raman1 Fr= 1--       8.435                 14.737                  7.448
 ROA1   Fr= 1--      -6.219                -25.511                 99.394
 CID1   Fr= 1--      -0.737                 -1.731                 13.344
 Raman2 Fr= 1--       3.614                  5.095                  0.808
 ROA2   Fr= 1--     -19.100                 -5.613                 20.341
 CID2   Fr= 1--      -5.285                 -1.102                 25.181
 Raman3 Fr= 1--       7.228                 10.190                  1.616
 ROA3   Fr= 1--      -6.219                -25.511                 99.394
 CID3   Fr= 1--      -0.860                 -2.504                 61.523
 RC180  Fr= 1--       0.714                  0.383                 -0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      4.7891                 2.5431                 3.9670
  Dep-P Fr= 1--      0.3877                 0.6511                 0.7379
  Dep-U Fr= 1--      0.5588                 0.7887                 0.8492
 Alpha2 Fr= 1--      0.0370                 0.0045                 0.0008
 Beta2  Fr= 1--      0.4460                 0.3343                 0.5614
 AlphaG Fr= 1--     -0.0501                -0.0178                -0.0088
 Gamma2 Fr= 1--      0.8590                -3.1304                 1.8147
 Delta2 Fr= 1--      1.0478                -0.7688                -0.2076
 Raman1 Fr= 1--      19.156                 10.173                 15.868
 ROA1   Fr= 1--     115.997               -325.120                167.566
 CID1   Fr= 1--       6.055                -31.960                 10.560
 Raman2 Fr= 1--       5.352                  4.011                  6.737
 ROA2   Fr= 1--      12.234                -68.979                 45.213
 CID2   Fr= 1--       2.286                -17.196                  6.711
 Raman3 Fr= 1--      10.705                  8.023                 13.474
 ROA3   Fr= 1--     115.997               -325.120                167.566
 CID3   Fr= 1--      10.836                -40.525                 12.436
 RC180  Fr= 1--       0.118                  0.577                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.5436                 3.2910                 2.9911
  Dep-P Fr= 1--      0.3327                 0.7494                 0.4828
  Dep-U Fr= 1--      0.4993                 0.8567                 0.6512
 Alpha2 Fr= 1--      0.0329                 0.0000                 0.0160
 Beta2  Fr= 1--      0.2949                 0.4699                 0.3246
 AlphaG Fr= 1--      0.0821                -0.0000                 0.0779
 Gamma2 Fr= 1--     -0.2447                 0.0621                 0.4507
 Delta2 Fr= 1--      0.2970                 0.6710                -0.3374
 Raman1 Fr= 1--      14.175                 13.164                 11.965
 ROA1   Fr= 1--     -13.986                 27.429                 32.471
 CID1   Fr= 1--      -0.987                  2.084                  2.714
 Raman2 Fr= 1--       3.539                  5.639                  3.896
 ROA2   Fr= 1--      -8.249                 -3.879                 13.516
 CID2   Fr= 1--      -2.331                 -0.688                  3.470
 Raman3 Fr= 1--       7.077                 11.278                  7.791
 ROA3   Fr= 1--     -13.986                 27.429                 32.471
 CID3   Fr= 1--      -1.976                  2.432                  4.168
 RC180  Fr= 1--      -0.001                  0.713                  0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      3.9569                10.0944                 5.1244
  Dep-P Fr= 1--      0.5130                 0.3571                 0.5412
  Dep-U Fr= 1--      0.6781                 0.5263                 0.7023
 Alpha2 Fr= 1--      0.0184                 0.0866                 0.0206
 Beta2  Fr= 1--      0.4472                 0.8854                 0.5998
 AlphaG Fr= 1--     -0.0466                -0.0522                 0.0117
 Gamma2 Fr= 1--      0.4550                -5.4653                 0.5324
 Delta2 Fr= 1--      0.8540                -1.5517                 0.4328
 Raman1 Fr= 1--      15.828                 40.378                 20.498
 ROA1   Fr= 1--      71.006               -574.321                 64.963
 CID1   Fr= 1--       4.486                -14.224                  3.169
 Raman2 Fr= 1--       5.366                 10.625                  7.198
 ROA2   Fr= 1--       4.088               -118.753                  9.316
 CID2   Fr= 1--       0.762                -11.177                  1.294
 Raman3 Fr= 1--      10.733                 21.249                 14.395
 ROA3   Fr= 1--      71.006               -574.321                 64.963
 CID3   Fr= 1--       6.616                -27.028                  4.513
 RC180  Fr= 1--       0.356                  0.053                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.2723                 4.6361                 3.1739
  Dep-P Fr= 1--      0.5586                 0.2324                 0.7406
  Dep-U Fr= 1--      0.7168                 0.3772                 0.8510
 Alpha2 Fr= 1--      0.0228                 0.0577                 0.0005
 Beta2  Fr= 1--      0.7494                 0.2914                 0.4502
 AlphaG Fr= 1--     -0.0216                 0.0414                -0.0020
 Gamma2 Fr= 1--     -1.0731                 0.1197                 1.2943
 Delta2 Fr= 1--     -0.2626                 0.2098                 1.1291
 Raman1 Fr= 1--      25.089                 18.545                 12.696
 ROA1   Fr= 1--    -111.421                 18.210                160.380
 CID1   Fr= 1--      -4.441                  0.982                 12.633
 Raman2 Fr= 1--       8.992                  3.497                  5.402
 ROA2   Fr= 1--     -23.653                  1.195                 22.029
 CID2   Fr= 1--      -2.630                  0.342                  4.078
 Raman3 Fr= 1--      17.985                  6.994                 10.804
 ROA3   Fr= 1--    -111.421                 18.210                160.380
 CID3   Fr= 1--      -6.195                  2.604                 14.845
 RC180  Fr= 1--       0.434                 -0.246                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      7.2218                 0.6038                 9.6869
  Dep-P Fr= 1--      0.2860                 0.4443                 0.4128
  Dep-U Fr= 1--      0.4448                 0.6152                 0.5843
 Alpha2 Fr= 1--      0.0772                 0.0038                 0.0685
 Beta2  Fr= 1--      0.5354                 0.0619                 0.9434
 AlphaG Fr= 1--     -0.1584                -0.0063                 0.0687
 Gamma2 Fr= 1--     -1.4150                -0.0949                 1.0454
 Delta2 Fr= 1--     -0.1306                -0.0557                 0.3022
 Raman1 Fr= 1--      28.887                  2.415                 38.747
 ROA1   Fr= 1--    -140.016                -10.892                110.031
 CID1   Fr= 1--      -4.847                 -4.509                  2.840
 Raman2 Fr= 1--       6.424                  0.743                 11.321
 ROA2   Fr= 1--     -32.915                 -1.832                 22.672
 CID2   Fr= 1--      -5.123                 -2.466                  2.003
 Raman3 Fr= 1--      12.849                  1.486                 22.642
 ROA3   Fr= 1--    -140.016                -10.892                110.031
 CID3   Fr= 1--     -10.897                 -7.329                  4.860
 RC180  Fr= 1--      -0.110                  0.230                  0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--      9.4924                33.9163                10.6502
  Dep-P Fr= 1--      0.1346                 0.2461                 0.5421
  Dep-U Fr= 1--      0.2372                 0.3950                 0.7031
 Alpha2 Fr= 1--      0.1526                 0.4063                 0.0425
 Beta2  Fr= 1--      0.3753                 2.2331                 1.2480
 AlphaG Fr= 1--     -0.0589                -0.2605                -0.1387
 Gamma2 Fr= 1--     -0.5727                -1.7106                -0.8510
 Delta2 Fr= 1--     -0.0741                 0.7456                -0.0026
 Raman1 Fr= 1--      37.970                135.665                 42.601
 ROA1   Fr= 1--     -57.354               -140.360                -81.777
 CID1   Fr= 1--      -1.511                 -1.035                 -1.920
 Raman2 Fr= 1--       4.504                 26.797                 14.976
 ROA2   Fr= 1--     -13.153                -47.019                -20.403
 CID2   Fr= 1--      -2.920                 -1.755                 -1.362
 Raman3 Fr= 1--       9.008                 53.594                 29.952
 ROA3   Fr= 1--     -57.354               -140.360                -81.777
 CID3   Fr= 1--      -6.367                 -2.619                 -2.730
 RC180  Fr= 1--      -0.526                 -0.210                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     12.6512                11.9251                24.7423
  Dep-P Fr= 1--      0.6304                 0.6161                 0.5024
  Dep-U Fr= 1--      0.7733                 0.7625                 0.6688
 Alpha2 Fr= 1--      0.0275                 0.0293                 0.1208
 Beta2  Fr= 1--      1.6306                 1.5154                 2.7578
 AlphaG Fr= 1--      0.0405                -0.0758                -0.0672
 Gamma2 Fr= 1--      3.2148                -3.3740                -3.6346
 Delta2 Fr= 1--      1.8346                 0.8663                -1.5636
 Raman1 Fr= 1--      50.605                 47.700                 98.969
 ROA1   Fr= 1--     367.330               -296.179               -398.956
 CID1   Fr= 1--       7.259                 -6.209                 -4.031
 Raman2 Fr= 1--      19.567                 18.185                 33.093
 ROA2   Fr= 1--      62.479                -87.906                -74.721
 CID2   Fr= 1--       3.193                 -4.834                 -2.258
 Raman3 Fr= 1--      39.133                 36.369                 66.187
 ROA3   Fr= 1--     367.330               -296.179               -398.956
 CID3   Fr= 1--       9.387                 -8.144                 -6.028
 RC180  Fr= 1--       0.547                  0.525                  0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      1.0843                 1.4460                 5.7379
  Dep-P Fr= 1--      0.6174                 0.4576                 0.7139
  Dep-U Fr= 1--      0.7634                 0.6279                 0.8330
 Alpha2 Fr= 1--      0.0026                 0.0086                 0.0036
 Beta2  Fr= 1--      0.1380                 0.1513                 0.7967
 AlphaG Fr= 1--      0.0008                -0.0035                 0.0036
 Gamma2 Fr= 1--      1.1691                -0.2175                 0.0686
 Delta2 Fr= 1--      0.4562                 0.2481                -0.3604
 Raman1 Fr= 1--       4.337                  5.784                 22.952
 ROA1   Fr= 1--     126.831                -12.940                 -4.953
 CID1   Fr= 1--      29.243                 -2.237                 -0.216
 Raman2 Fr= 1--       1.656                  1.816                  9.560
 ROA2   Fr= 1--      24.408                 -7.204                  4.529
 CID2   Fr= 1--      14.743                 -3.967                  0.474
 Raman3 Fr= 1--       3.311                  3.632                 19.120
 ROA3   Fr= 1--     126.831                -12.940                 -4.953
 CID3   Fr= 1--      38.305                 -3.563                 -0.259
 RC180  Fr= 1--       0.527                  0.256                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      5.0969               105.4253               116.5711
  Dep-P Fr= 1--      0.5167                 0.1859                 0.2529
  Dep-U Fr= 1--      0.6813                 0.3136                 0.4037
 Alpha2 Fr= 1--      0.0232                 1.4857                 1.3703
 Beta2  Fr= 1--      0.5788                 5.5096                 7.8439
 AlphaG Fr= 1--     -0.0576                 0.0293                -2.4569
 Gamma2 Fr= 1--      2.1266                -1.7252               -19.6937
 Delta2 Fr= 1--     -0.1122                 2.0866                 4.6023
 Raman1 Fr= 1--      20.388                421.701                466.284
 ROA1   Fr= 1--     200.561                -98.849              -1743.323
 CID1   Fr= 1--       9.837                 -0.234                 -3.739
 Raman2 Fr= 1--       6.945                 66.115                 94.127
 ROA2   Fr= 1--      51.936                -58.097               -509.468
 CID2   Fr= 1--       7.478                 -0.879                 -5.413
 Raman3 Fr= 1--      13.890                132.229                188.254
 ROA3   Fr= 1--     200.561                -98.849              -1743.323
 CID3   Fr= 1--      14.439                 -0.748                 -9.260
 RC180  Fr= 1--       0.363                 -0.373                 -0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    294.1752               129.5104               281.0651
  Dep-P Fr= 1--      0.0506                 0.0499                 0.0349
  Dep-U Fr= 1--      0.0964                 0.0950                 0.0674
 Alpha2 Fr= 1--      5.8020                 2.5591                 5.7549
 Beta2  Fr= 1--      4.7263                 2.0504                 3.1564
 AlphaG Fr= 1--     -0.8808                -0.1687                 0.0673
 Gamma2 Fr= 1--     -8.6662                -0.7818                 3.3730
 Delta2 Fr= 1--      1.3294                -0.1272                 0.5051
 Raman1 Fr= 1--    1176.701                518.041               1124.260
 ROA1   Fr= 1--    -789.412                -79.127                339.973
 CID1   Fr= 1--      -0.671                 -0.153                  0.302
 Raman2 Fr= 1--      56.716                 24.604                 37.877
 ROA2   Fr= 1--    -218.624                -17.746                 76.912
 CID2   Fr= 1--      -3.855                 -0.721                  2.031
 Raman3 Fr= 1--     113.431                 49.209                 75.755
 ROA3   Fr= 1--    -789.412                -79.127                339.973
 CID3   Fr= 1--      -6.959                 -1.608                  4.488
 RC180  Fr= 1--      -0.807                 -0.810                 -0.865
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     77.2501               105.1627               211.4365
  Dep-P Fr= 1--      0.6182                 0.5581                 0.1273
  Dep-U Fr= 1--      0.7641                 0.7164                 0.2258
 Alpha2 Fr= 1--      0.1864                 0.3837                 3.4606
 Beta2  Fr= 1--      9.8374                12.5564                 7.9587
 AlphaG Fr= 1--     -0.3449                -0.7931                 0.4036
 Gamma2 Fr= 1--     16.6189                19.3876               -47.6602
 Delta2 Fr= 1--     10.5054                10.9109               -29.4636
 Raman1 Fr= 1--     309.001                420.651                845.746
 ROA1   Fr= 1--    1931.584               2210.362              -5518.219
 CID1   Fr= 1--       6.251                  5.255                 -6.525
 Raman2 Fr= 1--     118.049                150.677                 95.504
 ROA2   Fr= 1--     314.810                378.016               -908.136
 CID2   Fr= 1--       2.667                  2.509                 -9.509
 Raman3 Fr= 1--     236.099                301.355                191.009
 ROA3   Fr= 1--    1931.584               2210.362              -5518.219
 CID3   Fr= 1--       8.181                  7.335                -28.890
 RC180  Fr= 1--       0.528                  0.433                 -0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     33.8028               168.4018                43.6418
  Dep-P Fr= 1--      0.7380                 0.7392                 0.7476
  Dep-U Fr= 1--      0.8493                 0.8500                 0.8556
 Alpha2 Fr= 1--      0.0069                 0.0310                 0.0017
 Beta2  Fr= 1--      4.7846                23.8581                 6.2233
 AlphaG Fr= 1--     -0.0236                -0.2542                 0.0058
 Gamma2 Fr= 1--    -15.7743               -17.3951                40.7652
 Delta2 Fr= 1--     -7.4577               -13.9548                26.7564
 Raman1 Fr= 1--     135.211                673.607                174.567
 ROA1   Fr= 1--   -1752.974              -2116.487               4769.662
 CID1   Fr= 1--     -12.965                 -3.142                 27.323
 Raman2 Fr= 1--      57.415                286.297                 74.680
 ROA2   Fr= 1--    -318.921               -305.845                764.314
 CID2   Fr= 1--      -5.555                 -1.068                 10.235
 Raman3 Fr= 1--     114.831                572.594                149.360
 ROA3   Fr= 1--   -1752.974              -2116.487               4769.662
 CID3   Fr= 1--     -15.266                 -3.696                 31.934
 RC180  Fr= 1--       0.699                  0.700                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     56.0198                61.5961               112.5863
  Dep-P Fr= 1--      0.7315                 0.7258                 0.4707
  Dep-U Fr= 1--      0.8449                 0.8411                 0.6401
 Alpha2 Fr= 1--      0.0178                 0.0256                 0.6334
 Beta2  Fr= 1--      7.8886                 8.6351                12.0117
 AlphaG Fr= 1--     -0.0495                 0.0646                -0.2545
 Gamma2 Fr= 1--     -6.4945                 2.8533                 7.9196
 Delta2 Fr= 1--     -2.8923                 2.8409               -17.5919
 Raman1 Fr= 1--     224.079                246.384                450.345
 ROA1   Fr= 1--    -716.030                364.823                197.343
 CID1   Fr= 1--      -3.195                  1.481                  0.438
 Raman2 Fr= 1--      94.663                103.622                144.140
 ROA2   Fr= 1--    -132.731                 45.752                330.806
 CID2   Fr= 1--      -1.402                  0.442                  2.295
 Raman3 Fr= 1--     189.326                207.243                288.280
 ROA3   Fr= 1--    -716.030                364.823                197.343
 CID3   Fr= 1--      -3.782                  1.760                  0.685
 RC180  Fr= 1--       0.690                  0.682                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     36.9842               130.5332               164.8613
  Dep-P Fr= 1--      0.5846                 0.2021                 0.1328
  Dep-U Fr= 1--      0.7378                 0.3362                 0.2344
 Alpha2 Fr= 1--      0.1144                 1.7630                 2.6617
 Beta2  Fr= 1--      4.5480                 7.3141                 6.4407
 AlphaG Fr= 1--      0.0276                 0.7055                 0.6219
 Gamma2 Fr= 1--      0.6378                15.2404                -2.4326
 Delta2 Fr= 1--      0.5562                14.6928                -2.5576
 Raman1 Fr= 1--     147.937                522.133                659.445
 ROA1   Fr= 1--      79.024               1933.251               -315.376
 CID1   Fr= 1--       0.534                  3.703                 -0.478
 Raman2 Fr= 1--      54.576                 87.770                 77.288
 ROA2   Fr= 1--      10.858                248.228                -37.923
 CID2   Fr= 1--       0.199                  2.828                 -0.491
 Raman3 Fr= 1--     109.152                175.540                154.576
 ROA3   Fr= 1--      79.024               1933.251               -315.376
 CID3   Fr= 1--       0.724                 11.013                 -2.040
 RC180  Fr= 1--       0.476                 -0.328                 -0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143206D+03 -0.524042D+01 -0.255312D+01
      2  -0.524042D+01  0.110802D+03  0.133876D+01
      3  -0.255312D+01  0.133876D+01  0.997528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.421033D+01  0.800418D+00  0.119370D+01
      2   0.251657D+02 -0.554659D+01  0.801288D+01
      3  -0.182400D+02  0.965300D+01  0.806635D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.390903D+02 -0.111078D+02  0.101455D+02
      2   0.512086D+01  0.982618D+01 -0.189107D+02
      3   0.339694D+02  0.128158D+01  0.876514D+01
      4  -0.327355D+02 -0.191406D+02 -0.922308D+01
      5   0.175376D+02 -0.115136D+02  0.303013D+02
      6   0.343925D+01 -0.299887D+01 -0.718912D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.217829D+02 -0.450567D+00 -0.142655D+01 -0.274226D+01 -0.171390D+01
      2  -0.450567D+00  0.283825D+00 -0.403250D+00 -0.171390D+01 -0.588471D+01
      3  -0.142655D+01 -0.403250D+00 -0.379939D+01  0.418260D+00 -0.131026D+01
                 6             7             8             9            10 
      1   0.418260D+00 -0.546639D+01 -0.206603D+01 -0.547197D+01 -0.261721D+01
      2  -0.131026D+01 -0.206603D+01  0.506305D+00  0.129247D+01  0.214966D+01
      3   0.954906D+00 -0.547197D+01  0.129247D+01  0.291613D+01 -0.276472D+00
                11            12            13            14            15 
      1   0.214966D+01 -0.276472D+00 -0.288155D+00 -0.197645D+01  0.895213D+00
      2  -0.109339D+01  0.280461D+01 -0.197645D+01  0.547428D+01  0.141359D+01
      3   0.280461D+01 -0.160389D+01  0.895213D+00  0.141359D+01  0.107273D+00
                16            17            18            19            20 
      1  -0.118129D+01  0.415497D+01 -0.116791D+01  0.252445D+02 -0.410446D+01
      2   0.415497D+01  0.200627D+01  0.204931D+00 -0.410446D+01  0.420040D+01
      3  -0.116791D+01  0.204931D+00  0.137054D+01 -0.209379D+01  0.104780D-01
                21            22            23            24            25 
      1  -0.209379D+01 -0.611493D+01  0.439273D+01  0.627316D+00 -0.587401D+01
      2   0.104780D-01  0.439273D+01  0.407241D+01  0.367360D+00  0.162023D-01
      3   0.233277D+01  0.627316D+00  0.367360D+00 -0.249797D+01  0.398202D+01
                26            27            28            29            30 
      1   0.162023D-01  0.398202D+01 -0.212311D+02  0.473129D+01  0.250394D+01
      2  -0.520894D+00 -0.293162D+01  0.473129D+01 -0.343119D+01 -0.809649D+00
      3  -0.293162D+01 -0.426322D+01  0.250394D+01 -0.809649D+00 -0.357839D+01
                31            32            33            34            35 
      1   0.952955D+01 -0.585977D+01 -0.543604D+00  0.657594D+01 -0.125762D+01
      2  -0.585977D+01  0.851101D+00  0.123107D+00 -0.125762D+01  0.843716D+00
      3  -0.543604D+00  0.123107D+00  0.215332D+01 -0.467405D+01  0.103199D+01
                36            37            38            39            40 
      1  -0.467405D+01  0.113591D+02 -0.312710D+01  0.190976D+00 -0.344661D+01
      2   0.103199D+01 -0.312710D+01 -0.571554D-01 -0.376245D+00  0.138646D+01
      3   0.238856D+01  0.190976D+00 -0.376245D+00  0.270964D+01 -0.453731D+00
                41            42            43            44            45 
      1   0.138646D+01 -0.453731D+00  0.475485D-01 -0.179560D+00  0.618565D+01
      2   0.622250D+01  0.129197D+01 -0.179560D+00  0.155913D+01 -0.123776D+01
      3   0.129197D+01 -0.142625D+01  0.618565D+01 -0.123776D+01 -0.483811D+01
                46            47            48            49            50 
      1  -0.801642D+00 -0.339804D+01 -0.203931D+01 -0.502542D+01  0.459011D+01
      2  -0.339804D+01  0.201256D+01  0.703020D-01  0.459011D+01 -0.598903D+00
      3  -0.203931D+01  0.703020D-01  0.263578D+01 -0.269959D+00  0.705675D+00
                51            52            53            54            55 
      1  -0.269959D+00 -0.219246D+01 -0.776895D+00  0.446781D+01  0.224986D+01
      2   0.705675D+00 -0.776895D+00  0.212981D+01 -0.362985D+01  0.158283D+01
      3  -0.233708D+01  0.446781D+01 -0.362985D+01  0.202022D+01  0.122054D+01
                56            57            58            59            60 
      1   0.158283D+01  0.122054D+01  0.183906D+01 -0.790804D+00 -0.139087D+00
      2  -0.490892D+00  0.535678D-01 -0.790804D+00 -0.773437D+01 -0.412588D-01
      3   0.535678D-01 -0.987662D+00 -0.139087D+00 -0.412588D-01  0.126571D+01
                61            62            63            64            65 
      1   0.168571D+01  0.175159D+00 -0.109667D+01  0.123937D+02 -0.122498D+01
      2   0.175159D+00  0.532884D+00  0.596602D+00 -0.122498D+01  0.190338D+01
      3  -0.109667D+01  0.596602D+00 -0.516134D+01  0.436768D+01 -0.731945D+00
                66            67            68            69            70 
      1   0.436768D+01  0.187266D+01  0.551976D+01  0.571284D+00  0.119366D+02
      2  -0.731945D+00  0.551976D+01 -0.410006D+01  0.129120D+01 -0.190746D+00
      3   0.282541D+01  0.571284D+00  0.129120D+01  0.906423D+00  0.413776D+01
                71            72            73            74            75 
      1  -0.190746D+00  0.413776D+01  0.409615D+01 -0.109174D+01 -0.191621D+01
      2   0.363856D+00  0.905323D+00 -0.109174D+01  0.351274D+00  0.492992D+00
      3   0.905323D+00 -0.947659D+00 -0.191621D+01  0.492992D+00  0.224886D+01
                76            77            78            79            80 
      1  -0.273608D+01  0.317785D+00  0.295716D+00 -0.218817D+01  0.599441D+00
      2   0.317785D+00 -0.779939D+00 -0.154492D+01  0.599441D+00 -0.182291D+01
      3   0.295716D+00 -0.154492D+01 -0.219601D+01  0.291740D+01 -0.263013D+01
                81            82            83            84            85 
      1   0.291740D+01  0.296152D+01  0.149019D+01 -0.128609D+01  0.112835D+01
      2  -0.263013D+01  0.149019D+01  0.168655D+01 -0.140404D+01  0.151668D+01
      3  -0.831695D+01 -0.128609D+01 -0.140404D+01  0.163613D+01 -0.122599D+01
                86            87            88            89            90 
      1   0.151668D+01 -0.122599D+01 -0.183292D+01 -0.170485D+01  0.152882D+01
      2   0.431509D+01 -0.232556D+01 -0.170485D+01 -0.258089D+01  0.217499D+01
      3  -0.232556D+01  0.194783D+01  0.152882D+01  0.217499D+01 -0.298430D+01
                91            92            93            94            95 
      1   0.148727D+00 -0.152925D+01 -0.622769D+00 -0.156516D+01 -0.123582D+01
      2  -0.152925D+01 -0.954370D+00  0.114488D+00 -0.123582D+01 -0.103707D+02
      3  -0.622769D+00  0.114488D+00  0.170055D+00 -0.795125D-01 -0.174420D+01
                96            97            98            99           100 
      1  -0.795125D-01 -0.195490D+01  0.247590D+00 -0.602669D+00 -0.573880D+00
      2  -0.174420D+01  0.247590D+00 -0.756053D+00 -0.582544D+00 -0.880189D+00
      3  -0.118016D+01 -0.602669D+00 -0.582544D+00 -0.124931D+00 -0.419103D+00
               101           102           103           104           105 
      1  -0.880189D+00 -0.419103D+00 -0.246998D+01 -0.312120D+01 -0.907318D-01
      2  -0.491443D+00 -0.525820D-01 -0.312120D+01 -0.833490D+01 -0.500630D+00
      3  -0.525820D-01 -0.204057D+00 -0.907318D-01 -0.500630D+00 -0.101986D+01
               106           107           108           109           110 
      1  -0.839284D+00 -0.345471D+00 -0.819450D+00 -0.109723D+02  0.148856D+01
      2  -0.345471D+00 -0.945500D+00 -0.970993D+00  0.148856D+01 -0.108614D+01
      3  -0.819450D+00 -0.970993D+00  0.129358D-01 -0.225407D+01  0.599709D+00
               111           112           113           114           115 
      1  -0.225407D+01  0.476918D+01 -0.162324D+01  0.587602D+00 -0.493134D+01
      2   0.599709D+00 -0.162324D+01  0.829337D+00 -0.894055D+00  0.529616D+00
      3  -0.172991D+01  0.587602D+00 -0.894055D+00  0.962757D+00 -0.318234D+01
               116           117           118           119           120 
      1   0.529616D+00 -0.318234D+01 -0.451799D+01  0.291220D+00  0.206505D+01
      2  -0.112414D+01  0.786931D+00  0.291220D+00 -0.173987D+00  0.219423D-01
      3   0.786931D+00 -0.145893D+01  0.206505D+01  0.219423D-01 -0.188852D+01
               121           122           123           124           125 
      1   0.215459D+01 -0.872737D+00 -0.555922D+00  0.537234D+01  0.543779D+00
      2  -0.872737D+00 -0.189407D+00  0.946840D+00  0.543779D+00  0.105813D+01
      3  -0.555922D+00  0.946840D+00  0.897491D+00 -0.487282D+01  0.337366D+00
               126           127           128           129           130 
      1  -0.487282D+01 -0.555662D+01  0.258630D+01  0.259182D+01  0.232085D+01
      2   0.337366D+00  0.258630D+01 -0.229140D+01 -0.104150D+01 -0.219143D+01
      3   0.741753D+01  0.259182D+01 -0.104150D+01 -0.178755D+01 -0.856497D+00
               131           132           133           134           135 
      1  -0.219143D+01 -0.856497D+00  0.385040D+01 -0.137278D+01 -0.294454D+01
      2   0.190533D+01  0.119723D+01 -0.137278D+01  0.170842D+01  0.213045D+01
      3   0.119723D+01  0.121733D+01 -0.294454D+01  0.213045D+01  0.265336D+01
               136           137           138           139           140 
      1  -0.229545D+01  0.205820D+01 -0.120834D+01  0.190375D+01 -0.214931D+01
      2   0.205820D+01 -0.160263D+01  0.701285D+00 -0.214931D+01  0.354777D+01
      3  -0.120834D+01  0.701285D+00 -0.126536D+01  0.100780D+01 -0.216367D+01
               141           142           143           144           145 
      1   0.100780D+01 -0.259510D+01  0.205027D+01 -0.304418D+01  0.493104D-01
      2  -0.216367D+01  0.205027D+01 -0.415985D+01  0.314324D+01 -0.214865D+00
      3   0.182208D+01 -0.304418D+01  0.314324D+01 -0.484276D+01  0.732472D+00
               146           147           148           149           150 
      1  -0.214865D+00  0.732472D+00 -0.740332D+00  0.423379D+00 -0.207186D+00
      2   0.249760D+00 -0.367036D-02  0.423379D+00  0.510933D+00  0.943058D+00
      3  -0.367036D-02  0.527773D+00 -0.207186D+00  0.943058D+00 -0.554902D+00
               151           152           153           154           155 
      1   0.146520D+01 -0.335278D+00  0.723016D+00  0.225520D+00  0.126955D+01
      2  -0.335278D+00  0.135039D+01  0.960578D+00  0.126955D+01  0.651237D+00
      3   0.723016D+00  0.960578D+00  0.715996D+01 -0.147783D+00  0.658360D-01
               156           157           158           159           160 
      1  -0.147783D+00  0.112474D+01  0.396635D+00  0.535340D-01 -0.521927D+00
      2   0.658360D-01  0.396635D+00  0.123871D+02  0.470556D+00  0.393132D-01
      3   0.191962D+00  0.535340D-01  0.470556D+00  0.808007D+00  0.176233D+00
               161           162           163           164           165 
      1   0.393132D-01  0.176233D+00  0.398177D+01  0.267688D+00 -0.317347D+01
      2  -0.797477D+00  0.120083D+01  0.267688D+00 -0.314969D+01 -0.482604D+00
      3   0.120083D+01  0.366742D+00 -0.317347D+01 -0.482604D+00 -0.192133D+01
               166           167           168           169           170 
      1  -0.121174D+00 -0.442458D+01 -0.872876D+00 -0.422904D+01 -0.679622D+00
      2  -0.442458D+01  0.525054D+01 -0.309931D+01 -0.679622D+00 -0.166685D+01
      3  -0.872876D+00 -0.309931D+01 -0.302146D+01 -0.255546D+01 -0.252656D+01
               171           172           173           174           175 
      1  -0.255546D+01 -0.238385D+01 -0.721444D+00 -0.335058D+01 -0.139761D+01
      2  -0.252656D+01 -0.721444D+00 -0.347185D+01 -0.846084D+00 -0.572363D+01
      3  -0.313802D+00 -0.335058D+01 -0.846084D+00 -0.120298D+01 -0.130909D+01
               176           177           178           179           180 
      1  -0.572363D+01 -0.130909D+01 -0.412034D+01 -0.128793D+01 -0.236129D+01
      2   0.489943D+01 -0.236033D+00 -0.128793D+01 -0.554585D+00 -0.277911D+01
      3  -0.236033D+00 -0.279934D+01 -0.236129D+01 -0.277911D+01  0.461116D+01
               181           182           183           184           185 
      1  -0.586004D+01 -0.325154D+00  0.127434D+01 -0.353964D+00 -0.305232D+00
      2  -0.325154D+00 -0.742091D+00  0.623099D+00 -0.305232D+00 -0.710441D+00
      3   0.127434D+01  0.623099D+00 -0.227551D+01  0.346180D+00  0.684611D+00
               186           187           188           189           190 
      1   0.346180D+00  0.110308D+01  0.364973D+00 -0.129950D+01  0.288222D+01
      2   0.684611D+00  0.364973D+00  0.506803D+00  0.877081D-01  0.848217D+00
      3   0.145012D+00 -0.129950D+01  0.877081D-01  0.149359D+01  0.275359D+01
               191           192           193           194           195 
      1   0.848217D+00  0.275359D+01  0.195071D+01  0.167876D+01  0.170834D+01
      2   0.125330D+01  0.603978D+00  0.167876D+01  0.144760D+01  0.193352D+01
      3   0.603978D+00  0.298561D+01  0.170834D+01  0.193352D+01  0.348643D+01
               196           197           198           199           200 
      1   0.214911D+01  0.808605D+00  0.292790D+01  0.173860D+01 -0.195860D+01
      2   0.808605D+00  0.127709D+01  0.166185D+01 -0.195860D+01  0.229137D+01
      3   0.292790D+01  0.166185D+01  0.556288D+01  0.128688D+01 -0.785231D+00
               201           202           203           204           205 
      1   0.128688D+01 -0.234873D+01  0.322297D+01 -0.101624D+01  0.549547D+00
      2  -0.785231D+00  0.322297D+01 -0.781108D+01  0.285197D+01 -0.326807D+00
      3   0.130409D+01 -0.101624D+01  0.285197D+01 -0.199697D+01  0.958293D+00
               206           207           208           209           210 
      1  -0.326807D+00  0.958293D+00  0.366802D+00  0.614524D+00 -0.108659D+01
      2   0.995494D+00 -0.113728D+01  0.614524D+00  0.404664D+00 -0.783531D-01
      3  -0.113728D+01  0.964732D+00 -0.108659D+01 -0.783531D-01  0.911381D+00
               211           212           213           214           215 
      1   0.122457D+01  0.101036D+01 -0.523975D+00 -0.255608D+01 -0.234532D+00
      2   0.101036D+01  0.452063D+00 -0.117723D+01 -0.234532D+00 -0.120415D+01
      3  -0.523975D+00 -0.117723D+01  0.185403D+01  0.265630D+01  0.150209D+01
               216           217           218           219           220 
      1   0.265630D+01  0.350638D+01 -0.232059D+01  0.169908D+00 -0.486757D+01
      2   0.150209D+01 -0.232059D+01  0.219711D+01  0.158780D+00  0.463932D+01
      3  -0.709864D+01  0.169908D+00  0.158780D+00  0.396878D+00  0.550205D+00
               221           222           223           224           225 
      1   0.463932D+01  0.550205D+00  0.818154D+00  0.130758D+00  0.110561D+01
      2  -0.729925D+01 -0.202633D+00  0.130758D+00  0.649035D-01 -0.777861D+00
      3  -0.202633D+00 -0.959549D+00  0.110561D+01 -0.777861D+00 -0.386414D+00
               226           227           228           229           230 
      1   0.738875D+01  0.196876D+01  0.214392D+01  0.439996D+01  0.289316D+01
      2   0.196876D+01  0.155078D+01  0.694090D+00  0.289316D+01  0.164827D+01
      3   0.214392D+01  0.694090D+00  0.136822D+01  0.108295D+01  0.101908D+01
               231           232           233           234 
      1   0.108295D+01  0.492962D+01  0.109743D+01  0.232602D+01
      2   0.101908D+01  0.109743D+01  0.123011D+01  0.118635D+01
      3   0.146096D+01  0.232602D+01  0.118635D+01  0.179872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197960D+01 -0.797391D+00 -0.190998D+01 -0.101424D+01  0.698421D+01
      2  -0.304528D+02  0.791476D+00 -0.278321D+01 -0.326721D+01 -0.414915D+01
      3   0.294461D+02 -0.512018D+01  0.118584D+01  0.180629D+02  0.878434D+01
                 6             7             8             9            10 
      1   0.171696D+00  0.106005D+01  0.445254D+01  0.230383D+01  0.105378D+01
      2  -0.265456D+00 -0.214646D+02 -0.148869D+01 -0.556575D+01 -0.340978D+01
      3   0.284928D+01  0.106265D+02 -0.905870D+00  0.581819D+01 -0.671854D+01
                11            12            13            14            15 
      1  -0.290508D+01 -0.642250D+00 -0.544061D+00 -0.742897D+01 -0.433873D+01
      2   0.588048D+01  0.140312D+01 -0.267759D+00  0.150998D+01  0.173582D+01
      3  -0.355250D+01 -0.560278D+01  0.103003D+02 -0.134966D+02  0.175444D+00
                16            17            18            19            20 
      1  -0.172318D+01  0.376387D+01 -0.248344D+01  0.143305D+01  0.137649D+00
      2  -0.477100D+01  0.639237D+01  0.177592D+01  0.247930D+02 -0.295895D+01
      3  -0.122272D+02  0.722599D+00 -0.295793D+01 -0.452624D+02  0.115553D+02
                21            22            23            24            25 
      1   0.446090D+01  0.196085D+01 -0.408416D+01 -0.354508D+01  0.843890D+01
      2  -0.416034D+01 -0.732193D+01  0.435417D+01  0.275468D+01 -0.239830D+02
      3   0.259826D+01  0.230954D+02 -0.675746D+01 -0.319379D+01  0.108750D+02
                26            27            28            29            30 
      1   0.113145D+01 -0.340607D+01  0.758295D-02  0.830268D+00 -0.353149D+01
      2   0.311785D+01  0.818629D+01 -0.240660D+02  0.344051D+01  0.781090D+01
      3  -0.371937D+01 -0.996563D+01  0.406291D+02 -0.168985D+02 -0.537140D+01
                31            32            33            34            35 
      1   0.219390D+01  0.276117D+00  0.170693D+01 -0.611280D+01  0.987324D+01
      2   0.110756D+02 -0.330331D+01 -0.373310D+01  0.334448D+01 -0.299763D+01
      3  -0.168023D+02  0.714328D+01 -0.119640D+01 -0.141486D+02  0.171538D+01
                36            37            38            39            40 
      1   0.379953D+01 -0.296724D+00  0.232411D+00  0.150182D+01  0.101085D+01
      2  -0.623788D+01 -0.286869D+01  0.211420D+01 -0.836903D+01  0.328671D+01
      3   0.775379D+01 -0.233225D+02  0.156642D+01 -0.146285D+01  0.138102D+02
                41            42            43            44            45 
      1   0.329060D+01 -0.310134D+01  0.617178D+01  0.761501D+00 -0.527610D+01
      2  -0.540986D+01  0.537969D+01 -0.322254D+02  0.551173D+01  0.201559D+02
      3   0.225924D+02  0.537717D+01 -0.294282D+01  0.656849D+01 -0.112989D+02
                46            47            48            49            50 
      1   0.337527D+01  0.145902D+00 -0.468218D+01  0.158229D+01 -0.171482D+01
      2   0.649978D+01 -0.158827D+01 -0.392543D+01 -0.168431D+01 -0.310295D+00
      3  -0.977424D+01 -0.633657D+01 -0.518989D+01  0.961869D+01 -0.377941D+01
                51            52            53            54            55 
      1   0.212940D+01 -0.116918D+02  0.118317D+02 -0.224000D+01 -0.213284D+01
      2   0.464081D+01 -0.141830D+02  0.784455D+01 -0.268578D+01 -0.312094D+01
      3   0.264452D+01 -0.691531D+01  0.743686D+01 -0.286032D+01  0.957429D+01
                56            57            58            59            60 
      1  -0.772844D+00  0.256497D+01  0.329431D+00 -0.736211D+01 -0.516454D+01
      2  -0.417815D+00  0.181940D+01 -0.237699D+01  0.108897D+01 -0.798332D+00
      3   0.523197D+01  0.467324D+01  0.119410D+02 -0.534901D+01  0.389704D+00
                61            62            63            64            65 
      1   0.307973D+01  0.273688D+01  0.127800D+02  0.844108D-01  0.233013D+01
      2  -0.221082D+01 -0.120246D+01  0.303886D+01  0.261663D+02 -0.231709D+01
      3   0.498126D+01 -0.632364D-01 -0.116105D+01 -0.647695D+01 -0.995460D+01
                66            67            68            69            70 
      1   0.184496D+01 -0.439264D+01  0.244750D+01 -0.455758D+01 -0.173489D+01
      2   0.118098D+02  0.590825D+01  0.377400D+01  0.331679D+01  0.830900D+01
      3  -0.246590D-01 -0.127343D+02  0.823130D+01 -0.279844D+01 -0.940038D+01
                71            72            73            74            75 
      1   0.490230D+01 -0.248461D+00 -0.129302D+01 -0.443729D+00  0.116341D+01
      2   0.415927D+01 -0.646793D+00  0.528759D+01 -0.114285D+01  0.476472D+00
      3  -0.178808D+01 -0.552164D+01 -0.393854D+01 -0.827866D+00  0.115577D+01
                76            77            78            79            80 
      1   0.282912D+00  0.166894D+00 -0.481828D+00  0.183396D+01  0.332770D+01
      2  -0.369988D+01 -0.791927D+00 -0.123874D+01 -0.295796D+01 -0.932950D+00
      3   0.668575D+01 -0.390958D+00  0.392814D+00  0.132701D+01  0.165642D+01
                81            82            83            84            85 
      1  -0.229912D+01  0.769411D+00 -0.290507D-01 -0.168772D+01  0.137815D+00
      2  -0.235422D+01  0.225185D+01 -0.689691D+00  0.190054D+01 -0.368566D+00
      3  -0.790180D+00  0.207140D+01 -0.159722D+01 -0.243732D+00  0.295899D+01
                86            87            88            89            90 
      1  -0.125880D+01 -0.250214D+01 -0.102741D+01  0.396097D+00  0.290541D+01
      2  -0.945867D+00  0.116138D+01 -0.188878D+01  0.253585D+00 -0.216314D+01
      3  -0.390550D+01  0.130033D+01 -0.549728D+00  0.173284D+01 -0.257468D-01
                91            92            93            94            95 
      1  -0.701707D+00  0.115376D+01 -0.445034D+00  0.103210D+01  0.616172D+01
      2   0.269835D+00 -0.140456D+01 -0.148865D+00 -0.151033D+01 -0.539179D+00
      3  -0.374828D+00  0.273456D+00  0.953176D+00  0.421600D+01 -0.731216D+01
                96            97            98            99           100 
      1  -0.407594D+01 -0.395783D+01  0.947417D+00  0.998648D+00 -0.873734D+00
      2   0.143890D+01 -0.230903D+01 -0.493870D-01 -0.707549D+00  0.160661D+01
      3  -0.925373D+00  0.546386D+01 -0.901238D+00  0.432144D+00 -0.359308D+01
               101           102           103           104           105 
      1  -0.436109D+00 -0.156412D+00 -0.581802D+00 -0.224490D+01 -0.386947D+01
      2   0.396553D+00  0.146306D+01  0.230247D+00  0.177879D+01  0.401295D+01
      3  -0.220687D+01  0.467715D+00 -0.476477D+01 -0.272149D+02 -0.200319D+01
               106           107           108           109           110 
      1  -0.132149D+00 -0.235385D+00 -0.445553D+00 -0.590647D+00  0.888117D+00
      2   0.165694D+01  0.278237D+01 -0.735384D-01  0.833868D+01 -0.205823D+01
      3   0.341961D-01 -0.308402D+01 -0.216923D+01  0.154585D+02 -0.779885D+01
               111           112           113           114           115 
      1  -0.109846D+01  0.258647D+00 -0.100255D+01 -0.152610D+00 -0.161535D+01
      2   0.873638D+01 -0.299150D+01  0.326863D+01 -0.401900D+01  0.111690D+02
      3   0.432575D+01 -0.849374D+01  0.488937D+01 -0.382943D+01  0.610603D+01
               116           117           118           119           120 
      1   0.163493D+01 -0.897483D+00  0.218356D+01 -0.718338D+00 -0.179910D+01
      2  -0.313929D+01  0.562866D+01 -0.674722D+01 -0.446884D+00  0.771782D+01
      3  -0.567540D+01  0.573844D+01  0.636531D+01 -0.225857D+01 -0.230634D+01
               121           122           123           124           125 
      1  -0.981258D+00  0.101065D+01  0.575661D+00 -0.341513D+01  0.318300D+01
      2   0.172288D+01 -0.313802D+01 -0.348543D+01  0.160478D+02 -0.140581D+01
      3  -0.310826D+01  0.132866D+00  0.342591D+01 -0.371144D+01  0.451125D+01
               126           127           128           129           130 
      1   0.719069D+01 -0.467815D+01  0.113433D+01  0.378721D+01  0.947957D+00
      2  -0.278362D+02 -0.499240D+01  0.283958D+01  0.546717D+01  0.185180D+01
      3   0.628564D+01 -0.400178D+01 -0.412212D+01  0.182059D+01  0.472644D+00
               131           132           133           134           135 
      1  -0.151497D+01 -0.288945D+01  0.502851D+01 -0.161398D+01 -0.459756D+01
      2  -0.268761D+01 -0.327720D+01  0.413303D+01 -0.474284D+01 -0.648061D+01
      3   0.596903D+00  0.980409D+00  0.483038D+01  0.219284D+01  0.103813D+00
               136           137           138           139           140 
      1   0.191010D+01 -0.100710D+01  0.230785D+01 -0.958530D+00  0.221246D+01
      2   0.157417D+01 -0.743790D+00  0.365005D+01 -0.443474D+00  0.331971D+01
      3   0.118071D+01 -0.143251D+01  0.378829D-01 -0.629785D+00  0.648973D+01
               141           142           143           144           145 
      1  -0.446297D+01  0.581098D+01 -0.396172D+01  0.813068D+01 -0.258123D+01
      2  -0.389382D+01  0.389885D+01 -0.574430D+01  0.928104D+01 -0.629259D+00
      3  -0.320513D+01  0.418324D+00 -0.878842D+01  0.296316D+01 -0.148613D+00
               146           147           148           149           150 
      1   0.836673D+00 -0.176880D+01  0.108148D+01 -0.183406D+01  0.157194D+01
      2   0.456751D+00 -0.242032D+00  0.169398D+01 -0.148850D+01  0.913213D+00
      3  -0.266732D+01  0.187307D+01 -0.178190D+01  0.871065D+00  0.165123D+00
               151           152           153           154           155 
      1  -0.227032D+01  0.204865D+01 -0.160281D+02  0.103881D+01  0.442180D+00
      2  -0.408834D+01  0.156932D+00 -0.372656D+01  0.545493D+00 -0.610674D+00
      3   0.416061D+01 -0.514169D+00  0.132929D+01  0.828920D+00  0.168994D+01
               156           157           158           159           160 
      1  -0.611819D+00 -0.600411D-01  0.482139D+01 -0.435837D+01 -0.752239D+00
      2   0.925050D+00 -0.113751D+01 -0.807692D+00 -0.240117D+00 -0.618019D+00
      3  -0.847381D+00  0.677577D+01  0.535229D+01  0.225237D+00 -0.145569D+01
               161           162           163           164           165 
      1  -0.166832D+01 -0.409839D+00 -0.164736D+01 -0.675377D+01 -0.260873D+01
      2  -0.364684D+00 -0.598624D+00 -0.158952D+02 -0.247620D+01  0.733233D+01
      3  -0.639380D+00  0.121773D+01 -0.389010D+01  0.280693D+01  0.402202D+01
               166           167           168           169           170 
      1  -0.102481D+02  0.805324D+01 -0.119201D+02 -0.367756D+01 -0.435276D+01
      2  -0.352566D+01  0.167429D+01 -0.352548D+01  0.131743D+00 -0.315825D+01
      3   0.103409D+02 -0.638061D+01  0.593027D+01  0.502912D+01  0.398620D+01
               171           172           173           174           175 
      1  -0.620307D+01 -0.975582D+00  0.117492D+01 -0.462603D+00  0.272001D+01
      2   0.167163D+01 -0.137739D+02 -0.328429D+01 -0.556048D+01 -0.488639D+01
      3   0.642555D+01  0.460443D+01  0.125612D+02  0.429862D+01  0.272216D+02
               176           177           178           179           180 
      1  -0.262948D+01 -0.275652D+01 -0.471388D+00  0.137269D+01  0.330626D+01
      2  -0.444392D+01 -0.111509D+02 -0.165538D+02 -0.105050D+02  0.164855D+02
      3  -0.160428D+02  0.131747D+01  0.655610D+01  0.180006D+01  0.112278D+02
               181           182           183           184           185 
      1   0.235809D+00 -0.223517D+01 -0.103584D+01 -0.148235D+01 -0.923401D-01
      2   0.192736D+02  0.108284D+01 -0.416130D+01  0.973238D+00  0.209601D+01
      3   0.674705D+01 -0.378179D+00 -0.153367D+01  0.234939D+01  0.104081D+01
               186           187           188           189           190 
      1   0.369550D+00 -0.103240D+01  0.200869D+01  0.969825D+00  0.403512D+01
      2  -0.352720D+00 -0.634327D+01 -0.583769D+00  0.418746D+01  0.230518D+00
      3  -0.922040D+00 -0.110983D+01 -0.140887D+00  0.111422D+01 -0.297574D+01
               191           192           193           194           195 
      1   0.397756D+01  0.336493D+01  0.457501D+01  0.577490D+01  0.512195D+01
      2  -0.701661D+00  0.259150D+01 -0.122958D+01  0.119730D+01  0.445768D+01
      3  -0.381742D+01 -0.302102D+01 -0.295434D+01 -0.440439D+01 -0.447933D+01
               196           197           198           199           200 
      1   0.415349D+01  0.577905D+01  0.740360D+01 -0.251678D+01  0.416574D+01
      2  -0.164884D+01  0.153340D+01  0.601583D+01 -0.523857D+00  0.161402D+01
      3  -0.216584D+01 -0.365227D+01 -0.487896D+01  0.156761D+01 -0.353918D+01
               201           202           203           204           205 
      1   0.780019D+00  0.550868D+01 -0.129707D+02  0.742230D+00  0.169034D-01
      2   0.163180D+01  0.310970D+01  0.374868D+00 -0.309535D+01 -0.530748D+00
      3   0.610546D+00 -0.834722D+00  0.114222D+02 -0.413338D+01 -0.229124D+00
               206           207           208           209           210 
      1   0.208022D+01 -0.122555D+01 -0.828795D+00 -0.333153D+00  0.398984D+00
      2  -0.977187D+00  0.337596D+00 -0.433701D+01  0.128417D+00  0.337116D+01
      3  -0.133740D+01  0.105484D+01 -0.229283D+01 -0.195184D+01  0.851374D+00
               211           212           213           214           215 
      1  -0.337620D+00 -0.125531D+01  0.306235D+00  0.798873D+00  0.374695D+01
      2  -0.237316D+00 -0.319862D+01  0.649667D+01  0.404348D+01  0.541690D+01
      3  -0.224472D+01 -0.224235D+01  0.417907D+01  0.107738D+01  0.507937D+01
               216           217           218           219           220 
      1  -0.271885D+01  0.101771D+01 -0.102393D+01  0.831179D+00 -0.133720D+01
      2  -0.236740D+02  0.212774D+01 -0.639517D+00  0.298698D+01 -0.352501D+00
      3  -0.642477D+01  0.638944D+01 -0.839884D+01 -0.654751D+00 -0.115429D+02
               221           222           223           224           225 
      1   0.342510D+01 -0.300946D+01  0.459938D+00  0.305297D+00  0.477137D-01
      2   0.176879D+01 -0.418695D+01  0.292962D+01 -0.214099D+01 -0.967979D+00
      3   0.248954D+02  0.229372D+00 -0.133915D+01 -0.241534D+00  0.185530D+01
               226           227           228           229           230 
      1  -0.765865D-02  0.602664D-02 -0.565824D+00 -0.407594D+00  0.993434D-01
      2   0.105755D+02  0.340473D+01  0.813777D+01  0.544852D+01  0.500846D+01
      3  -0.947730D+01 -0.823787D+01 -0.328295D+01 -0.103600D+02 -0.778776D+01
               231           232           233           234 
      1  -0.139007D+01  0.145855D+00  0.959867D+00 -0.689360D+00
      2   0.695402D+01  0.851469D+01  0.488630D+01  0.823395D+01
      3  -0.417560D+01 -0.529065D+01 -0.595103D+01 -0.526551D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.306787D+01 -0.120797D+00 -0.781172D+01  0.451655D+01 -0.394656D+01
      2   0.831672D+01 -0.193055D+01 -0.125987D+01 -0.254850D+01  0.610779D+01
      3  -0.113846D+02  0.205135D+01  0.907160D+01 -0.196805D+01 -0.216123D+01
      4   0.135847D+02  0.203716D+01 -0.166494D+01 -0.174237D+01 -0.617375D+00
      5   0.128244D+01 -0.304230D+01 -0.914462D+01  0.201756D+01 -0.143958D+01
      6  -0.361071D+00 -0.498572D+00  0.261457D+01  0.478269D+00  0.767975D+01
                 6             7             8             9            10 
      1   0.546768D+01 -0.213881D+02  0.143945D+01  0.965356D+01 -0.774692D+01
      2   0.678984D+00  0.451771D+00  0.399947D+01  0.732613D+01  0.519433D+01
      3  -0.614667D+01  0.209364D+02 -0.543892D+01 -0.169797D+02  0.255260D+01
      4  -0.131894D+01 -0.400500D+01  0.373345D+01  0.734738D+01  0.390562D+01
      5   0.280245D+01 -0.131011D+02  0.493268D+01  0.114192D+02  0.380518D+00
      6  -0.129811D+01  0.836488D+01 -0.211336D+01 -0.963834D+01  0.350606D+01
                11            12            13            14            15 
      1   0.797952D+01 -0.510921D+01  0.718439D+01 -0.105748D+02 -0.127666D+01
      2  -0.624828D+00  0.518027D+01 -0.263730D+01  0.126731D+02  0.345807D+01
      3  -0.735469D+01 -0.710632D-01 -0.454709D+01 -0.209834D+01 -0.218141D+01
      4  -0.527908D+01  0.741341D+01 -0.699895D+01  0.163331D+01  0.675640D+01
      5   0.707785D+01 -0.458495D+01  0.197072D+01  0.441492D+01 -0.341180D+01
      6   0.478771D+01 -0.568311D+01  0.650149D+01  0.430301D+01 -0.379854D+01
                16            17            18            19            20 
      1  -0.798044D+01  0.662304D+01 -0.268626D+01 -0.491756D+02  0.129431D+02
      2   0.651361D+01 -0.199185D+01  0.101526D+01  0.190249D+02 -0.983316D+01
      3   0.146683D+01 -0.463120D+01  0.167100D+01  0.301507D+02 -0.310989D+01
      4   0.109010D+02  0.609877D+01 -0.378478D+01 -0.131362D+02 -0.684892D+01
      5  -0.552853D+01 -0.267752D+01  0.435227D+01 -0.109806D+01  0.128802D+01
      6  -0.529099D+01 -0.617797D+01  0.722521D+01  0.484237D+01 -0.156095D+01
                21            22            23            24            25 
      1   0.474219D+01  0.270874D+02  0.573278D+01 -0.233946D+01  0.171466D+02
      2  -0.276669D+00 -0.216221D+02 -0.203067D+02 -0.366667D+01 -0.119414D+01
      3  -0.446552D+01 -0.546534D+01  0.145739D+02  0.600613D+01 -0.159524D+02
      4   0.146912D+01 -0.147000D+01 -0.111326D+02 -0.136867D+01  0.282752D+01
      5  -0.260063D+01 -0.404679D+01 -0.285590D+01  0.314252D+01  0.217598D+01
      6  -0.567231D+01 -0.517135D+01 -0.828998D+01  0.588753D+01 -0.114675D+02
                26            27            28            29            30 
      1  -0.371258D+01 -0.235847D+02  0.647694D+02 -0.224660D+02 -0.134650D+02
      2  -0.471266D+01  0.841173D-01 -0.341107D+02  0.113182D+02  0.258902D+01
      3   0.842524D+01  0.235006D+02 -0.306588D+02  0.111478D+02  0.108760D+02
      4   0.401804D+01  0.214010D+01  0.266478D+01  0.517584D+01  0.164365D+01
      5   0.357043D+01  0.102770D+02 -0.115764D+01  0.328648D+01  0.119958D+02
      6   0.123124D+02  0.117914D+02 -0.435602D+01  0.627827D+01  0.568591D+01
                31            32            33            34            35 
      1  -0.233440D+02  0.880846D+01  0.238802D+01 -0.143406D+02  0.500604D+01
      2   0.938949D+01  0.364523D+01  0.173144D+01  0.416045D+01 -0.165562D+01
      3   0.139545D+02 -0.124537D+02 -0.411946D+01  0.101801D+02 -0.335042D+01
      4   0.123299D+02  0.319652D+01 -0.199262D+00  0.901216D+00  0.855789D+00
      5  -0.187247D+01  0.320781D+01 -0.536843D+01  0.231209D+02 -0.463821D+01
      6   0.616654D+01 -0.499819D+01 -0.332187D+01  0.535827D+01  0.221505D+01
                36            37            38            39            40 
      1   0.103609D+02 -0.599680D+02  0.232790D+02 -0.104169D+02  0.330410D+02
      2  -0.116230D+02  0.371138D+02 -0.133600D+02  0.319040D+01 -0.242717D+02
      3   0.126213D+01  0.228542D+02 -0.991908D+01  0.722654D+01 -0.876935D+01
      4  -0.775217D+00  0.112637D+02  0.194296D+01  0.336991D+01 -0.605529D+01
      5  -0.418370D+01 -0.136740D+02  0.361909D+01 -0.208776D+02  0.483161D+01
      6  -0.655538D+01  0.509645D+00 -0.404071D+00 -0.285938D+01 -0.716417D+00
                41            42            43            44            45 
      1   0.653819D+01  0.723363D+01 -0.173909D+02  0.699371D+01 -0.278557D+02
      2  -0.199999D+02 -0.484526D+01  0.188988D+01 -0.571630D+01  0.264110D+02
      3   0.134617D+02 -0.238837D+01  0.155010D+02 -0.127741D+01  0.144464D+01
      4  -0.381016D+02 -0.787383D+01  0.269727D+01 -0.889642D+01  0.339031D+01
      5  -0.997580D+01  0.107759D+02 -0.483029D+02  0.100710D+02  0.339628D+02
      6  -0.252069D+01  0.242492D+01 -0.793454D+01  0.182827D+01  0.744730D+01
                46            47            48            49            50 
      1   0.710175D+01  0.691799D+01  0.828033D+01  0.736550D+01 -0.125670D+02
      2  -0.552594D+01 -0.253658D+01 -0.365502D+01 -0.994673D+00  0.977580D+01
      3  -0.157581D+01 -0.438141D+01 -0.462531D+01 -0.637083D+01  0.279122D+01
      4   0.149124D+02 -0.154191D+02 -0.666635D+01 -0.233490D+02  0.569111D+01
      5   0.107998D+02 -0.439429D+01 -0.133385D+02  0.918698D+00 -0.369496D+01
      6  -0.891446D+01 -0.228658D+01  0.110045D+02 -0.559418D+01  0.881184D+01
                51            52            53            54            55 
      1  -0.132637D+01  0.855460D+01 -0.440886D+01 -0.585015D+01 -0.109971D+02
      2   0.191505D+01 -0.425424D+01  0.346611D+01  0.816959D+00  0.901410D+01
      3  -0.588683D+00 -0.430035D+01  0.942751D+00  0.503319D+01  0.198302D+01
      4  -0.194148D+01 -0.157186D+01 -0.851224D+01  0.224552D+02  0.928500D+00
      5   0.107552D+02 -0.239687D+02  0.192679D+02 -0.583366D+01 -0.114860D+01
      6  -0.107936D+02  0.193731D+02 -0.205824D+02  0.981125D+01  0.726688D+01
                56            57            58            59            60 
      1   0.180655D+01 -0.740508D+00 -0.189964D+01  0.294297D+02 -0.181111D+01
      2  -0.617627D+01  0.115795D+01 -0.116718D+01 -0.501189D+02 -0.109797D+01
      3   0.436972D+01 -0.417442D+00  0.306682D+01  0.206893D+02  0.290908D+01
      4   0.142101D+01  0.271012D+01  0.576102D+01  0.333134D+01 -0.610275D+00
      5   0.147131D+01  0.315414D+00 -0.760662D+00 -0.119513D+01 -0.163560D+00
      6  -0.202700D+00 -0.227265D+01 -0.265895D+00 -0.313978D+01  0.435622D+01
                61            62            63            64            65 
      1  -0.107059D+01 -0.202709D+01  0.108706D+02  0.425717D+01 -0.318429D+01
      2   0.110562D+01  0.518596D+01  0.756718D+01 -0.840792D+01  0.327220D+00
      3  -0.350271D-01 -0.315887D+01 -0.184378D+02  0.415074D+01  0.285707D+01
      4  -0.670376D-01  0.305882D+00 -0.485206D+01 -0.736384D+01  0.822126D+01
      5   0.384946D+01 -0.167631D+01  0.430657D+00  0.156487D+02 -0.117833D+01
      6  -0.348099D+01  0.376389D+01 -0.161051D+02 -0.454030D+01  0.269663D+01
                66            67            68            69            70 
      1   0.154347D+02 -0.598719D+01  0.146366D+02 -0.102780D+01  0.225342D+02
      2  -0.977551D+01  0.217871D+01 -0.678501D+01 -0.103021D+01 -0.135785D+02
      3  -0.565919D+01  0.380849D+01 -0.785157D+01  0.205801D+01 -0.895564D+01
      4  -0.315099D+01  0.167828D+02 -0.149194D+02  0.303405D+01 -0.546157D+01
      5   0.946350D+01  0.811421D-01  0.486423D+01  0.448955D+01  0.150559D+02
      6   0.179410D+00  0.679980D-01 -0.408301D+01  0.149165D+01 -0.277647D+01
                71            72            73            74            75 
      1  -0.233335D+01  0.531358D+01 -0.145806D+01  0.654283D-02  0.359875D+01
      2  -0.968296D+00 -0.702997D+01 -0.540010D+01  0.149734D+01  0.412883D+01
      3   0.330164D+01  0.171640D+01  0.685815D+01 -0.150388D+01 -0.772758D+01
      4   0.162744D+01  0.308297D+01 -0.595128D+01  0.440454D+01  0.366712D+01
      5   0.449253D+01 -0.544934D+01 -0.806590D+01  0.342818D+01  0.122195D+02
      6   0.271555D+01  0.207161D+01  0.459570D+01 -0.229896D+01 -0.377844D+01
                76            77            78            79            80 
      1   0.353582D+01 -0.683079D+01 -0.720957D+01  0.568536D+01 -0.748294D+01
      2  -0.569317D+00  0.108134D+01 -0.311001D+00  0.582343D+01 -0.250228D+01
      3  -0.296651D+01  0.574945D+01  0.752057D+01 -0.115088D+02  0.998521D+01
      4   0.428278D+01 -0.219709D+01 -0.390274D+01  0.472644D+01 -0.409559D+01
      5   0.341865D+01 -0.399748D+01 -0.445890D+01  0.131102D+02 -0.599975D+01
      6  -0.271170D+01  0.597576D+01  0.104188D+02 -0.440208D+01  0.100627D+02
                81            82            83            84            85 
      1  -0.260635D+02  0.593520D+01 -0.142275D+01  0.501383D+00 -0.120189D+01
      2  -0.146809D+02 -0.190950D+01  0.272764D+01 -0.235042D+00  0.323702D+01
      3   0.407444D+02 -0.402570D+01 -0.130489D+01 -0.266342D+00 -0.203513D+01
      4  -0.734665D+01  0.111675D+02  0.119219D+02 -0.796418D+01  0.108875D+02
      5  -0.189989D+02 -0.728600D+01 -0.643972D+01  0.823580D+01 -0.525518D+01
      6   0.166290D+02 -0.783258D+01 -0.660561D+01  0.637764D+01 -0.678239D+01
                86            87            88            89            90 
      1  -0.106374D+02  0.510600D+01  0.351287D+00  0.501633D+01 -0.690065D+01
      2   0.140177D+02 -0.515953D+01  0.475798D-01 -0.410484D+01  0.280994D+00
      3  -0.338039D+01  0.535263D-01 -0.398867D+00 -0.911488D+00  0.661966D+01
      4   0.162401D+02 -0.906313D+01 -0.824817D+01 -0.962362D+01  0.997422D+01
      5  -0.751198D+01  0.572218D+01  0.771513D+01  0.728187D+01 -0.967344D+01
      6  -0.149700D+02  0.123508D+02  0.746204D+01  0.134047D+02 -0.140197D+02
                91            92            93            94            95 
      1  -0.293248D+01  0.114454D+01  0.166374D+01  0.107519D+01 -0.331270D+02
      2   0.434776D+01  0.238160D+01 -0.506944D+00  0.210568D+01  0.480727D+02
      3  -0.141528D+01 -0.352614D+01 -0.115680D+01 -0.318086D+01 -0.149457D+02
      4   0.303548D+01  0.984320D+01  0.131627D+01  0.876150D+01  0.195537D+02
      5   0.102080D+01  0.177030D+01  0.163273D+01  0.229429D+01  0.516386D+01
      6   0.372683D+01  0.124405D+00  0.109857D+00  0.134835D+01  0.160369D+02
                96            97            98            99           100 
      1  -0.679674D+01  0.293549D+01 -0.346700D+01 -0.169323D+01  0.395292D+01
      2   0.647649D+01 -0.277519D+01  0.325440D+01  0.360569D+01  0.148551D+01
      3   0.320254D+00 -0.160299D+00  0.212594D+00 -0.191246D+01 -0.543843D+01
      4   0.335508D+01  0.127587D+01  0.897831D-01  0.100532D+01  0.748253D+01
      5   0.317415D+01  0.203354D+01  0.124612D+01 -0.127541D+00  0.300330D+01
      6   0.946215D+01  0.317986D+01  0.566997D+01  0.195641D+01  0.870676D+00
               101           102           103           104           105 
      1   0.650609D+01  0.299881D+01  0.868476D+01 -0.750271D+01 -0.916557D+00
      2  -0.189554D+01 -0.118647D+01  0.461051D+01  0.314359D+02  0.192974D+01
      3  -0.461056D+01 -0.181234D+01 -0.132953D+02 -0.239332D+02 -0.101318D+01
      4   0.983843D+01  0.934003D+00  0.263594D+02  0.561671D+02  0.370700D+01
      5   0.249931D+00  0.287611D+01  0.857488D+00  0.469837D+01  0.762797D+01
      6   0.179047D+00  0.170509D+00  0.428573D+00  0.301692D+00  0.646801D+01
               106           107           108           109           110 
      1   0.493134D+01 -0.979566D+00  0.529392D+00  0.842679D+02 -0.128623D+02
      2  -0.125626D+01  0.268187D+01  0.665784D+00 -0.463258D+02  0.827274D+01
      3  -0.367508D+01 -0.170230D+01 -0.119518D+01 -0.379421D+02  0.458952D+01
      4   0.317325D+01  0.657553D+01  0.623927D+01 -0.221944D+01  0.100824D+02
      5   0.708569D+01  0.605072D+01 -0.194220D-01  0.262081D+02 -0.492238D+01
      6   0.245964D+01  0.655742D+01  0.125294D+01  0.138806D+01 -0.167429D+00
               111           112           113           114           115 
      1   0.194952D+02 -0.340751D+02  0.108037D+02 -0.532303D+01  0.377859D+02
      2  -0.113177D+02  0.197268D+02 -0.458359D+01  0.398142D+01 -0.213020D+02
      3  -0.817750D+01  0.143483D+02 -0.622007D+01  0.134161D+01 -0.164839D+02
      4  -0.237331D+01  0.115465D+02 -0.626309D+01  0.640735D+01 -0.536474D+00
      5   0.175945D+02 -0.821334D+01  0.758226D+01 -0.800335D+01  0.309328D+02
      6   0.196288D+01  0.151640D+01 -0.381992D+00  0.621337D+00  0.292383D+01
               116           117           118           119           120 
      1  -0.503615D+01  0.190348D+02  0.266502D+02 -0.285138D+01 -0.120015D+02
      2   0.432793D+01 -0.151602D+02 -0.185439D+02  0.200043D+01  0.931617D+01
      3   0.708219D+00 -0.387453D+01 -0.810629D+01  0.850946D+00  0.268537D+01
      4   0.841094D+01 -0.301433D+01  0.253980D+01  0.314846D+01 -0.231469D+01
      5  -0.653256D+01  0.141928D+02 -0.161797D+02 -0.151484D+00  0.190772D+02
      6   0.104350D+01  0.471874D+00 -0.320068D+01 -0.618464D+00  0.305445D+01
               121           122           123           124           125 
      1  -0.133898D+02  0.156425D+01  0.232188D+01 -0.229928D+02 -0.185065D+01
      2   0.971814D+01 -0.874711D+00 -0.388040D+01  0.209028D+02 -0.102345D+01
      3   0.367168D+01 -0.689544D+00  0.155852D+01  0.208999D+01  0.287410D+01
      4   0.591218D+01  0.163603D+01 -0.635171D+01 -0.851367D+01 -0.898925D+01
      5   0.393401D+01 -0.646372D+01 -0.639940D+01  0.409034D+02 -0.238326D+01
      6  -0.179705D+01 -0.211663D+00  0.326285D+01  0.768385D+01  0.406281D+01
               126           127           128           129           130 
      1   0.140032D+02  0.222417D+02 -0.657636D+01 -0.938202D+01 -0.457260D+01
      2  -0.253913D+02 -0.902718D+01 -0.135293D+00  0.468183D+01 -0.207999D+01
      3   0.113880D+02 -0.132145D+02  0.671165D+01  0.470019D+01  0.665260D+01
      4   0.168839D+01 -0.233546D+02  0.174765D+02  0.100525D+02  0.159553D+02
      5  -0.544972D+02 -0.173662D+02  0.681353D+01  0.126576D+02  0.540885D+01
      6  -0.116041D+02  0.924155D+01 -0.453426D+01 -0.690822D+01 -0.450967D+01
               131           132           133           134           135 
      1   0.195104D+01  0.222847D+00 -0.118808D+02  0.621731D+00  0.363429D+01
      2   0.402375D+01  0.227213D+01  0.685407D+01  0.189155D+01 -0.406266D+01
      3  -0.597479D+01 -0.249498D+01  0.502676D+01 -0.251329D+01  0.428369D+00
      4  -0.138254D+02 -0.757298D+01  0.141104D+02 -0.116738D+02 -0.140801D+02
      5  -0.692043D+01 -0.647741D+01  0.183173D+02 -0.113657D+02 -0.155521D+02
      6   0.611300D+01  0.727922D+01 -0.111728D+02  0.105782D+02  0.955427D+01
               136           137           138           139           140 
      1   0.605704D+01 -0.485093D+01  0.329398D+01 -0.105031D+01 -0.472900D+01
      2  -0.218173D+01  0.768404D+00 -0.231054D+01 -0.296086D+01  0.919483D+01
      3  -0.387530D+01  0.408252D+01 -0.983440D+00  0.401118D+01 -0.446583D+01
      4  -0.135606D+02  0.126820D+02 -0.611464D+01  0.137627D+02 -0.161152D+02
      5   0.800479D+01 -0.486504D+01  0.986674D+01 -0.504794D+01  0.983519D+01
      6  -0.640774D+01  0.437783D+01 -0.567890D+01  0.674110D+01 -0.136613D+02
               141           142           143           144           145 
      1   0.312040D+01  0.385568D+01  0.536766D+01 -0.278724D+01  0.358082D+00
      2  -0.469675D+01 -0.234679D+01 -0.606189D+01 -0.310335D+01 -0.372402D+01
      3   0.157636D+01 -0.150889D+01  0.694239D+00  0.589059D+01  0.336594D+01
      4   0.103603D+02 -0.138832D+02  0.183913D+02 -0.171150D+02  0.566671D+00
      5  -0.836579D+01  0.174750D+02 -0.151876D+02  0.214027D+02  0.101425D+01
      6   0.127677D+02 -0.145328D+02  0.198724D+02 -0.220526D+02  0.114860D+01
               146           147           148           149           150 
      1  -0.816718D+00 -0.905587D+00  0.346751D+00 -0.477777D+01 -0.103756D+01
      2   0.158008D+01 -0.567306D+00  0.107811D+01  0.385976D+01  0.391671D+01
      3  -0.763363D+00  0.147289D+01 -0.142486D+01  0.918014D+00 -0.287915D+01
      4   0.215855D+01  0.191237D+01 -0.338286D+00  0.517162D+00  0.311283D-02
      5  -0.296823D+00  0.551695D+01 -0.174883D+00  0.233524D+00 -0.273196D-01
      6   0.106150D+01  0.142689D+01  0.382197D+00  0.271309D+01  0.257327D+01
               151           152           153           154           155 
      1  -0.881702D+00 -0.643098D+01 -0.192414D+02 -0.177743D+01 -0.324820D+01
      2  -0.143278D+01  0.445645D+01 -0.939903D+01  0.675558D+01  0.475094D+01
      3   0.231448D+01  0.197453D+01  0.286405D+02 -0.497815D+01 -0.150275D+01
      4   0.343959D+01  0.423546D+00  0.250129D+01  0.518898D-01  0.103080D+02
      5   0.375823D+01 -0.510588D+00 -0.657604D+00  0.195391D+00  0.904528D+00
      6   0.145444D+01  0.827498D+01  0.228774D+02 -0.531694D+00  0.404284D+00
               156           157           158           159           160 
      1  -0.316157D+00 -0.172869D+01 -0.475179D+02 -0.234384D+01  0.845431D-01
      2  -0.539495D-01  0.182092D+01  0.796088D+02  0.246549D+01 -0.108107D-01
      3   0.370107D+00 -0.922318D-01 -0.320909D+02 -0.121656D+00 -0.737323D-01
      4  -0.251424D+00  0.758267D+01 -0.249561D+01 -0.731698D-01 -0.957284D+00
      5   0.148434D+01  0.348810D+00  0.715009D+00 -0.243682D+00  0.566821D+00
      6   0.870790D+00  0.285979D+00  0.666851D+01  0.770471D+01  0.781387D+00
               161           162           163           164           165 
      1   0.211882D+01 -0.630106D+01  0.196243D+02 -0.230339D+01 -0.544938D+01
      2  -0.440388D+01  0.620170D+01 -0.305201D+01  0.980810D+01  0.850727D+01
      3   0.228506D+01  0.993596D-01 -0.165723D+02 -0.750471D+01 -0.305789D+01
      4   0.598609D+00 -0.156359D-02 -0.526595D+01 -0.101844D+02  0.755602D+00
      5  -0.553861D+00  0.623114D-03 -0.314467D+01 -0.126525D+01 -0.153715D+02
      6   0.973794D+01  0.111834D+01  0.232268D+01 -0.111642D+02 -0.306102D+01
               166           167           168           169           170 
      1  -0.203887D+01 -0.117918D+01 -0.301160D+00 -0.765203D+01  0.121449D+01
      2   0.143705D+02 -0.604411D+01  0.149124D+02  0.105448D+02  0.104588D+02
      3  -0.123317D+02  0.722329D+01 -0.146112D+02 -0.289276D+01 -0.116733D+02
      4  -0.168837D+02  0.224112D+02 -0.123466D+02  0.455910D+00 -0.681608D+01
      5  -0.357752D+01 -0.188221D+02 -0.132683D+02 -0.206321D+02 -0.105222D+02
      6  -0.151126D+02  0.164333D+02 -0.950276D+01 -0.464721D+01 -0.539693D+01
               171           172           173           174           175 
      1  -0.106040D+02 -0.470391D+01 -0.985309D+01 -0.226865D+02 -0.146667D+02
      2   0.892119D+01 -0.118295D+01  0.926373D+01  0.103926D+02  0.149725D+02
      3   0.168285D+01  0.588686D+01  0.589356D+00  0.122938D+02 -0.305835D+00
      4  -0.777803D+01 -0.861648D+01 -0.254182D+02 -0.610571D+01 -0.417653D+02
      5  -0.821408D+01 -0.249826D+02 -0.619675D+01 -0.901210D+01 -0.100726D+02
      6  -0.126053D+02  0.320973D+00  0.202429D+01 -0.432177D+00  0.340350D+01
               176           177           178           179           180 
      1  -0.247986D+02 -0.997111D+01 -0.301978D+02 -0.977754D+01 -0.803487D+01
      2   0.407922D+01  0.210032D+01  0.111199D+02  0.158465D+01  0.133598D+02
      3   0.207194D+02  0.787079D+01  0.190779D+02  0.819289D+01 -0.532494D+01
      4   0.339280D+02 -0.290262D+01 -0.983894D+01 -0.403839D+01 -0.183514D+02
      5  -0.125924D+01 -0.181943D+02 -0.156855D+02 -0.177883D+02  0.286432D+02
      6  -0.424353D+01 -0.769903D+00 -0.133559D+01  0.127534D+01  0.143814D+01
               181           182           183           184           185 
      1  -0.133568D+02 -0.239046D+01  0.106032D+02 -0.777079D+00 -0.350135D+01
      2   0.399781D+01 -0.272685D-02  0.130053D+01 -0.898474D+00  0.256839D+01
      3   0.935894D+01  0.239319D+01 -0.119037D+02  0.167555D+01  0.932959D+00
      4   0.777336D+01  0.150271D+01 -0.906041D+00  0.334105D+01 -0.124128D+01
      5  -0.125908D+02  0.123919D+00  0.261384D+01 -0.564402D-01  0.530726D+00
      6  -0.192615D+01 -0.375859D+01  0.500710D+01 -0.147626D+01 -0.279190D+01
               186           187           188           189           190 
      1   0.165323D+01  0.745312D+01  0.152812D+01 -0.694663D+01  0.772889D+01
      2  -0.239747D+01  0.581799D+00 -0.116119D+01 -0.278243D+01 -0.124703D+02
      3   0.744244D+00 -0.803492D+01 -0.366935D+00  0.972906D+01  0.474136D+01
      4   0.100094D+01 -0.103287D+01 -0.363094D+00  0.263784D+01  0.422994D+01
      5   0.224159D+01  0.597435D+01  0.161347D+01 -0.308470D+01  0.196271D+02
      6   0.375459D+01  0.312660D+01  0.288108D+01 -0.155465D+01  0.364300D+01
               191           192           193           194           195 
      1   0.334959D+01  0.338569D+01  0.477251D+01 -0.309562D+00 -0.319542D+01
      2  -0.508026D+01 -0.122865D+02 -0.898639D+01 -0.309573D+01 -0.108750D+02
      3   0.173067D+01  0.890078D+01  0.421389D+01  0.340529D+01  0.140705D+02
      4   0.618247D+01  0.231332D+01  0.807098D+01  0.572910D+01  0.791962D+01
      5   0.564330D+01  0.211204D+02  0.123406D+02  0.110364D+02  0.167126D+02
      6   0.583581D+01  0.271044D+01  0.783333D+01  0.795101D+01  0.101040D+02
               196           197           198           199           200 
      1   0.233119D+01 -0.183126D+01 -0.660368D+01  0.412317D+01 -0.365497D+01
      2  -0.123693D+02 -0.616892D+01 -0.206740D+02 -0.776775D-01 -0.263566D+01
      3   0.100381D+02  0.800018D+01  0.272777D+02 -0.404549D+01  0.629063D+01
      4   0.263128D+01  0.534073D+01  0.588466D+01 -0.121124D+02  0.148320D+02
      5   0.201533D+02  0.825101D+01  0.282957D+02  0.870195D+01 -0.768408D+01
      6   0.387785D+01  0.747410D+01  0.789268D+01 -0.703190D+01  0.885730D+01
               201           202           203           204           205 
      1   0.352561D+00 -0.247374D+01 -0.111298D+02  0.676776D+01 -0.856852D+00
      2  -0.214272D+01 -0.552191D+01  0.236954D+02 -0.488733D+01 -0.173985D+01
      3   0.179016D+01  0.799565D+01 -0.125656D+02 -0.188043D+01  0.259670D+01
      4  -0.505751D+01  0.183538D+02 -0.319488D+02  0.110580D+02 -0.189054D+01
      5   0.883110D+01 -0.907253D+01  0.146325D+02 -0.895307D+01  0.642508D+01
      6  -0.426691D+01  0.117988D+02 -0.284871D+02  0.158047D+02 -0.340982D+01
               206           207           208           209           210 
      1   0.380790D+01 -0.211732D+01  0.384914D+01  0.414200D+01 -0.687186D+01
      2  -0.527619D+00  0.373043D+00 -0.479907D+01 -0.269570D+01  0.523119D+01
      3  -0.328028D+01  0.174428D+01  0.949930D+00 -0.144630D+01  0.164067D+01
      4   0.413253D+01 -0.511534D+01  0.417390D+01  0.395705D+01 -0.115728D+01
      5  -0.507024D+01  0.576847D+01 -0.825076D+01 -0.173740D+01  0.111308D+02
      6   0.996498D+01 -0.607612D+01 -0.957042D+00 -0.418813D+00  0.239877D+00
               211           212           213           214           215 
      1   0.746708D+01  0.208217D+01  0.515358D+00 -0.124579D+02  0.146787D+01
      2  -0.535713D+01 -0.138595D+01  0.292641D+01  0.117033D+02  0.220759D+01
      3  -0.210995D+01 -0.696216D+00 -0.344177D+01  0.754644D+00 -0.367545D+01
      4   0.831778D+01  0.289332D+01 -0.767735D+01 -0.175314D+01 -0.841494D+01
      5  -0.468599D+01 -0.742884D+01  0.124182D+02  0.227831D+02  0.979240D+01
      6  -0.185888D+01 -0.226352D+01  0.498568D+01  0.559970D+00  0.469906D+01
               216           217           218           219           220 
      1   0.106482D+01  0.226735D+02 -0.139058D+02  0.124676D+01 -0.242270D+02
      2  -0.184927D+02 -0.661960D+01  0.318266D+01 -0.441325D+00  0.349680D+01
      3   0.174278D+02 -0.160539D+02  0.107231D+02 -0.805432D+00  0.207302D+02
      4   0.100501D+02 -0.200002D+02  0.217079D+02  0.156055D+01  0.385902D+02
      5  -0.470084D+02 -0.458065D+00  0.248346D+01  0.498856D+01  0.586072D+01
      6  -0.176254D+01  0.207686D+01 -0.199260D+01 -0.101067D+01 -0.411675D+01
               221           222           223           224           225 
      1   0.125955D+02  0.233338D+01  0.511676D+01  0.676563D+00  0.356992D+01
      2   0.108184D+02 -0.152685D+01 -0.157598D+01 -0.765112D+00 -0.149428D+01
      3  -0.234139D+02 -0.806530D+00 -0.354078D+01  0.885483D-01 -0.207564D+01
      4  -0.535619D+02 -0.134390D+01  0.906319D+00  0.596457D+00 -0.549435D+01
      5  -0.260194D+01 -0.785296D+01  0.919510D+01 -0.586214D+01 -0.289323D+01
      6   0.672519D+01  0.547346D+01 -0.295672D+01  0.502970D+01  0.406592D+00
               226           227           228           229           230 
      1   0.563995D+02  0.154453D+02  0.161550D+02  0.298491D+02  0.151194D+02
      2  -0.273628D+02 -0.747894D+01 -0.795847D+01 -0.140770D+02 -0.372806D+01
      3  -0.290367D+02 -0.796632D+01 -0.819654D+01 -0.157722D+02 -0.113913D+02
      4   0.180598D+02  0.151068D+02  0.594788D+01  0.252109D+02  0.142510D+02
      5   0.169625D+02  0.535273D+01  0.130619D+02  0.855317D+01  0.725232D+01
      6   0.599761D+00 -0.115256D+00  0.208919D+00  0.607515D+00  0.166839D+01
               231           232           233           234 
      1   0.685369D+01  0.320267D+02  0.656374D+01  0.127336D+02
      2  -0.260513D+01 -0.161610D+02 -0.264338D+01 -0.923697D+01
      3  -0.424855D+01 -0.158657D+02 -0.392037D+01 -0.349662D+01
      4   0.839165D+01  0.971376D+01  0.102246D+02  0.931184D+01
      5   0.113260D+02  0.197938D+02  0.895765D+01  0.148949D+02
      6   0.204596D+01  0.156137D+01  0.164814D+01  0.136812D+01
 Leave Link  716 at Fri Jul 23 14:50:46 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143206D+03 -0.524042D+01 -0.255312D+01
      2  -0.524042D+01  0.110802D+03  0.133876D+01
      3  -0.255312D+01  0.133876D+01  0.997528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.421033D+01  0.800418D+00  0.119370D+01
      2   0.251657D+02 -0.554659D+01  0.801288D+01
      3  -0.182400D+02  0.965300D+01  0.806635D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.390903D+02 -0.111078D+02  0.101455D+02
      2   0.512086D+01  0.982618D+01 -0.189107D+02
      3   0.339694D+02  0.128158D+01  0.876514D+01
      4  -0.327355D+02 -0.191406D+02 -0.922308D+01
      5   0.175376D+02 -0.115136D+02  0.303013D+02
      6   0.343925D+01 -0.299887D+01 -0.718912D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.217829D+02 -0.450567D+00 -0.142655D+01 -0.274226D+01 -0.171390D+01
      2  -0.450567D+00  0.283825D+00 -0.403250D+00 -0.171390D+01 -0.588471D+01
      3  -0.142655D+01 -0.403250D+00 -0.379939D+01  0.418260D+00 -0.131026D+01
                 6             7             8             9            10 
      1   0.418260D+00 -0.546639D+01 -0.206603D+01 -0.547197D+01 -0.261721D+01
      2  -0.131026D+01 -0.206603D+01  0.506305D+00  0.129247D+01  0.214966D+01
      3   0.954906D+00 -0.547197D+01  0.129247D+01  0.291613D+01 -0.276472D+00
                11            12            13            14            15 
      1   0.214966D+01 -0.276472D+00 -0.288155D+00 -0.197645D+01  0.895213D+00
      2  -0.109339D+01  0.280461D+01 -0.197645D+01  0.547428D+01  0.141359D+01
      3   0.280461D+01 -0.160389D+01  0.895213D+00  0.141359D+01  0.107273D+00
                16            17            18            19            20 
      1  -0.118129D+01  0.415497D+01 -0.116791D+01  0.252445D+02 -0.410446D+01
      2   0.415497D+01  0.200627D+01  0.204931D+00 -0.410446D+01  0.420040D+01
      3  -0.116791D+01  0.204931D+00  0.137054D+01 -0.209379D+01  0.104780D-01
                21            22            23            24            25 
      1  -0.209379D+01 -0.611493D+01  0.439273D+01  0.627316D+00 -0.587401D+01
      2   0.104780D-01  0.439273D+01  0.407241D+01  0.367360D+00  0.162023D-01
      3   0.233277D+01  0.627316D+00  0.367360D+00 -0.249797D+01  0.398202D+01
                26            27            28            29            30 
      1   0.162023D-01  0.398202D+01 -0.212311D+02  0.473129D+01  0.250394D+01
      2  -0.520894D+00 -0.293162D+01  0.473129D+01 -0.343119D+01 -0.809649D+00
      3  -0.293162D+01 -0.426322D+01  0.250394D+01 -0.809649D+00 -0.357839D+01
                31            32            33            34            35 
      1   0.952955D+01 -0.585977D+01 -0.543604D+00  0.657594D+01 -0.125762D+01
      2  -0.585977D+01  0.851101D+00  0.123107D+00 -0.125762D+01  0.843716D+00
      3  -0.543604D+00  0.123107D+00  0.215332D+01 -0.467405D+01  0.103199D+01
                36            37            38            39            40 
      1  -0.467405D+01  0.113591D+02 -0.312710D+01  0.190976D+00 -0.344661D+01
      2   0.103199D+01 -0.312710D+01 -0.571554D-01 -0.376245D+00  0.138646D+01
      3   0.238856D+01  0.190976D+00 -0.376245D+00  0.270964D+01 -0.453731D+00
                41            42            43            44            45 
      1   0.138646D+01 -0.453731D+00  0.475485D-01 -0.179560D+00  0.618565D+01
      2   0.622250D+01  0.129197D+01 -0.179560D+00  0.155913D+01 -0.123776D+01
      3   0.129197D+01 -0.142625D+01  0.618565D+01 -0.123776D+01 -0.483811D+01
                46            47            48            49            50 
      1  -0.801642D+00 -0.339804D+01 -0.203931D+01 -0.502542D+01  0.459011D+01
      2  -0.339804D+01  0.201256D+01  0.703020D-01  0.459011D+01 -0.598903D+00
      3  -0.203931D+01  0.703020D-01  0.263578D+01 -0.269959D+00  0.705675D+00
                51            52            53            54            55 
      1  -0.269959D+00 -0.219246D+01 -0.776895D+00  0.446781D+01  0.224986D+01
      2   0.705675D+00 -0.776895D+00  0.212981D+01 -0.362985D+01  0.158283D+01
      3  -0.233708D+01  0.446781D+01 -0.362985D+01  0.202022D+01  0.122054D+01
                56            57            58            59            60 
      1   0.158283D+01  0.122054D+01  0.183906D+01 -0.790804D+00 -0.139087D+00
      2  -0.490892D+00  0.535678D-01 -0.790804D+00 -0.773437D+01 -0.412588D-01
      3   0.535678D-01 -0.987662D+00 -0.139087D+00 -0.412588D-01  0.126571D+01
                61            62            63            64            65 
      1   0.168571D+01  0.175159D+00 -0.109667D+01  0.123937D+02 -0.122498D+01
      2   0.175159D+00  0.532884D+00  0.596602D+00 -0.122498D+01  0.190338D+01
      3  -0.109667D+01  0.596602D+00 -0.516134D+01  0.436768D+01 -0.731945D+00
                66            67            68            69            70 
      1   0.436768D+01  0.187266D+01  0.551976D+01  0.571284D+00  0.119366D+02
      2  -0.731945D+00  0.551976D+01 -0.410006D+01  0.129120D+01 -0.190746D+00
      3   0.282541D+01  0.571284D+00  0.129120D+01  0.906423D+00  0.413776D+01
                71            72            73            74            75 
      1  -0.190746D+00  0.413776D+01  0.409615D+01 -0.109174D+01 -0.191621D+01
      2   0.363856D+00  0.905323D+00 -0.109174D+01  0.351274D+00  0.492992D+00
      3   0.905323D+00 -0.947659D+00 -0.191621D+01  0.492992D+00  0.224886D+01
                76            77            78            79            80 
      1  -0.273608D+01  0.317785D+00  0.295716D+00 -0.218817D+01  0.599441D+00
      2   0.317785D+00 -0.779939D+00 -0.154492D+01  0.599441D+00 -0.182291D+01
      3   0.295716D+00 -0.154492D+01 -0.219601D+01  0.291740D+01 -0.263013D+01
                81            82            83            84            85 
      1   0.291740D+01  0.296152D+01  0.149019D+01 -0.128609D+01  0.112835D+01
      2  -0.263013D+01  0.149019D+01  0.168655D+01 -0.140404D+01  0.151668D+01
      3  -0.831695D+01 -0.128609D+01 -0.140404D+01  0.163613D+01 -0.122599D+01
                86            87            88            89            90 
      1   0.151668D+01 -0.122599D+01 -0.183292D+01 -0.170485D+01  0.152882D+01
      2   0.431509D+01 -0.232556D+01 -0.170485D+01 -0.258089D+01  0.217499D+01
      3  -0.232556D+01  0.194783D+01  0.152882D+01  0.217499D+01 -0.298430D+01
                91            92            93            94            95 
      1   0.148727D+00 -0.152925D+01 -0.622769D+00 -0.156516D+01 -0.123582D+01
      2  -0.152925D+01 -0.954370D+00  0.114488D+00 -0.123582D+01 -0.103707D+02
      3  -0.622769D+00  0.114488D+00  0.170055D+00 -0.795125D-01 -0.174420D+01
                96            97            98            99           100 
      1  -0.795125D-01 -0.195490D+01  0.247590D+00 -0.602669D+00 -0.573880D+00
      2  -0.174420D+01  0.247590D+00 -0.756053D+00 -0.582544D+00 -0.880189D+00
      3  -0.118016D+01 -0.602669D+00 -0.582544D+00 -0.124931D+00 -0.419103D+00
               101           102           103           104           105 
      1  -0.880189D+00 -0.419103D+00 -0.246998D+01 -0.312120D+01 -0.907318D-01
      2  -0.491443D+00 -0.525820D-01 -0.312120D+01 -0.833490D+01 -0.500630D+00
      3  -0.525820D-01 -0.204057D+00 -0.907318D-01 -0.500630D+00 -0.101986D+01
               106           107           108           109           110 
      1  -0.839284D+00 -0.345471D+00 -0.819450D+00 -0.109723D+02  0.148856D+01
      2  -0.345471D+00 -0.945500D+00 -0.970993D+00  0.148856D+01 -0.108614D+01
      3  -0.819450D+00 -0.970993D+00  0.129358D-01 -0.225407D+01  0.599709D+00
               111           112           113           114           115 
      1  -0.225407D+01  0.476918D+01 -0.162324D+01  0.587602D+00 -0.493134D+01
      2   0.599709D+00 -0.162324D+01  0.829337D+00 -0.894055D+00  0.529616D+00
      3  -0.172991D+01  0.587602D+00 -0.894055D+00  0.962757D+00 -0.318234D+01
               116           117           118           119           120 
      1   0.529616D+00 -0.318234D+01 -0.451799D+01  0.291220D+00  0.206505D+01
      2  -0.112414D+01  0.786931D+00  0.291220D+00 -0.173987D+00  0.219423D-01
      3   0.786931D+00 -0.145893D+01  0.206505D+01  0.219423D-01 -0.188852D+01
               121           122           123           124           125 
      1   0.215459D+01 -0.872737D+00 -0.555922D+00  0.537234D+01  0.543779D+00
      2  -0.872737D+00 -0.189407D+00  0.946840D+00  0.543779D+00  0.105813D+01
      3  -0.555922D+00  0.946840D+00  0.897491D+00 -0.487282D+01  0.337366D+00
               126           127           128           129           130 
      1  -0.487282D+01 -0.555662D+01  0.258630D+01  0.259182D+01  0.232085D+01
      2   0.337366D+00  0.258630D+01 -0.229140D+01 -0.104150D+01 -0.219143D+01
      3   0.741753D+01  0.259182D+01 -0.104150D+01 -0.178755D+01 -0.856497D+00
               131           132           133           134           135 
      1  -0.219143D+01 -0.856497D+00  0.385040D+01 -0.137278D+01 -0.294454D+01
      2   0.190533D+01  0.119723D+01 -0.137278D+01  0.170842D+01  0.213045D+01
      3   0.119723D+01  0.121733D+01 -0.294454D+01  0.213045D+01  0.265336D+01
               136           137           138           139           140 
      1  -0.229545D+01  0.205820D+01 -0.120834D+01  0.190375D+01 -0.214931D+01
      2   0.205820D+01 -0.160263D+01  0.701285D+00 -0.214931D+01  0.354777D+01
      3  -0.120834D+01  0.701285D+00 -0.126536D+01  0.100780D+01 -0.216367D+01
               141           142           143           144           145 
      1   0.100780D+01 -0.259510D+01  0.205027D+01 -0.304418D+01  0.493104D-01
      2  -0.216367D+01  0.205027D+01 -0.415985D+01  0.314324D+01 -0.214865D+00
      3   0.182208D+01 -0.304418D+01  0.314324D+01 -0.484276D+01  0.732472D+00
               146           147           148           149           150 
      1  -0.214865D+00  0.732472D+00 -0.740332D+00  0.423379D+00 -0.207186D+00
      2   0.249760D+00 -0.367036D-02  0.423379D+00  0.510933D+00  0.943058D+00
      3  -0.367036D-02  0.527773D+00 -0.207186D+00  0.943058D+00 -0.554902D+00
               151           152           153           154           155 
      1   0.146520D+01 -0.335278D+00  0.723016D+00  0.225520D+00  0.126955D+01
      2  -0.335278D+00  0.135039D+01  0.960578D+00  0.126955D+01  0.651237D+00
      3   0.723016D+00  0.960578D+00  0.715996D+01 -0.147783D+00  0.658360D-01
               156           157           158           159           160 
      1  -0.147783D+00  0.112474D+01  0.396635D+00  0.535340D-01 -0.521927D+00
      2   0.658360D-01  0.396635D+00  0.123871D+02  0.470556D+00  0.393132D-01
      3   0.191962D+00  0.535340D-01  0.470556D+00  0.808007D+00  0.176233D+00
               161           162           163           164           165 
      1   0.393132D-01  0.176233D+00  0.398177D+01  0.267688D+00 -0.317347D+01
      2  -0.797477D+00  0.120083D+01  0.267688D+00 -0.314969D+01 -0.482604D+00
      3   0.120083D+01  0.366742D+00 -0.317347D+01 -0.482604D+00 -0.192133D+01
               166           167           168           169           170 
      1  -0.121174D+00 -0.442458D+01 -0.872876D+00 -0.422904D+01 -0.679622D+00
      2  -0.442458D+01  0.525054D+01 -0.309931D+01 -0.679622D+00 -0.166685D+01
      3  -0.872876D+00 -0.309931D+01 -0.302146D+01 -0.255546D+01 -0.252656D+01
               171           172           173           174           175 
      1  -0.255546D+01 -0.238385D+01 -0.721444D+00 -0.335058D+01 -0.139761D+01
      2  -0.252656D+01 -0.721444D+00 -0.347185D+01 -0.846084D+00 -0.572363D+01
      3  -0.313802D+00 -0.335058D+01 -0.846084D+00 -0.120298D+01 -0.130909D+01
               176           177           178           179           180 
      1  -0.572363D+01 -0.130909D+01 -0.412034D+01 -0.128793D+01 -0.236129D+01
      2   0.489943D+01 -0.236033D+00 -0.128793D+01 -0.554585D+00 -0.277911D+01
      3  -0.236033D+00 -0.279934D+01 -0.236129D+01 -0.277911D+01  0.461116D+01
               181           182           183           184           185 
      1  -0.586004D+01 -0.325154D+00  0.127434D+01 -0.353964D+00 -0.305232D+00
      2  -0.325154D+00 -0.742091D+00  0.623099D+00 -0.305232D+00 -0.710441D+00
      3   0.127434D+01  0.623099D+00 -0.227551D+01  0.346180D+00  0.684611D+00
               186           187           188           189           190 
      1   0.346180D+00  0.110308D+01  0.364973D+00 -0.129950D+01  0.288222D+01
      2   0.684611D+00  0.364973D+00  0.506803D+00  0.877081D-01  0.848217D+00
      3   0.145012D+00 -0.129950D+01  0.877081D-01  0.149359D+01  0.275359D+01
               191           192           193           194           195 
      1   0.848217D+00  0.275359D+01  0.195071D+01  0.167876D+01  0.170834D+01
      2   0.125330D+01  0.603978D+00  0.167876D+01  0.144760D+01  0.193352D+01
      3   0.603978D+00  0.298561D+01  0.170834D+01  0.193352D+01  0.348643D+01
               196           197           198           199           200 
      1   0.214911D+01  0.808605D+00  0.292790D+01  0.173860D+01 -0.195860D+01
      2   0.808605D+00  0.127709D+01  0.166185D+01 -0.195860D+01  0.229137D+01
      3   0.292790D+01  0.166185D+01  0.556288D+01  0.128688D+01 -0.785231D+00
               201           202           203           204           205 
      1   0.128688D+01 -0.234873D+01  0.322297D+01 -0.101624D+01  0.549547D+00
      2  -0.785231D+00  0.322297D+01 -0.781108D+01  0.285197D+01 -0.326807D+00
      3   0.130409D+01 -0.101624D+01  0.285197D+01 -0.199697D+01  0.958293D+00
               206           207           208           209           210 
      1  -0.326807D+00  0.958293D+00  0.366802D+00  0.614524D+00 -0.108659D+01
      2   0.995494D+00 -0.113728D+01  0.614524D+00  0.404664D+00 -0.783531D-01
      3  -0.113728D+01  0.964732D+00 -0.108659D+01 -0.783531D-01  0.911381D+00
               211           212           213           214           215 
      1   0.122457D+01  0.101036D+01 -0.523975D+00 -0.255608D+01 -0.234532D+00
      2   0.101036D+01  0.452063D+00 -0.117723D+01 -0.234532D+00 -0.120415D+01
      3  -0.523975D+00 -0.117723D+01  0.185403D+01  0.265630D+01  0.150209D+01
               216           217           218           219           220 
      1   0.265630D+01  0.350638D+01 -0.232059D+01  0.169908D+00 -0.486757D+01
      2   0.150209D+01 -0.232059D+01  0.219711D+01  0.158780D+00  0.463932D+01
      3  -0.709864D+01  0.169908D+00  0.158780D+00  0.396878D+00  0.550205D+00
               221           222           223           224           225 
      1   0.463932D+01  0.550205D+00  0.818154D+00  0.130758D+00  0.110561D+01
      2  -0.729925D+01 -0.202633D+00  0.130758D+00  0.649035D-01 -0.777861D+00
      3  -0.202633D+00 -0.959549D+00  0.110561D+01 -0.777861D+00 -0.386414D+00
               226           227           228           229           230 
      1   0.738875D+01  0.196876D+01  0.214392D+01  0.439996D+01  0.289316D+01
      2   0.196876D+01  0.155078D+01  0.694090D+00  0.289316D+01  0.164827D+01
      3   0.214392D+01  0.694090D+00  0.136822D+01  0.108295D+01  0.101908D+01
               231           232           233           234 
      1   0.108295D+01  0.492962D+01  0.109743D+01  0.232602D+01
      2   0.101908D+01  0.109743D+01  0.123011D+01  0.118635D+01
      3   0.146096D+01  0.232602D+01  0.118635D+01  0.179872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197960D+01 -0.797391D+00 -0.190998D+01 -0.101424D+01  0.698421D+01
      2  -0.304528D+02  0.791476D+00 -0.278321D+01 -0.326721D+01 -0.414915D+01
      3   0.294461D+02 -0.512018D+01  0.118584D+01  0.180629D+02  0.878434D+01
                 6             7             8             9            10 
      1   0.171696D+00  0.106005D+01  0.445254D+01  0.230383D+01  0.105378D+01
      2  -0.265456D+00 -0.214646D+02 -0.148869D+01 -0.556575D+01 -0.340978D+01
      3   0.284928D+01  0.106265D+02 -0.905870D+00  0.581819D+01 -0.671854D+01
                11            12            13            14            15 
      1  -0.290508D+01 -0.642250D+00 -0.544061D+00 -0.742897D+01 -0.433873D+01
      2   0.588048D+01  0.140312D+01 -0.267759D+00  0.150998D+01  0.173582D+01
      3  -0.355250D+01 -0.560278D+01  0.103003D+02 -0.134966D+02  0.175444D+00
                16            17            18            19            20 
      1  -0.172318D+01  0.376387D+01 -0.248344D+01  0.143305D+01  0.137649D+00
      2  -0.477100D+01  0.639237D+01  0.177592D+01  0.247930D+02 -0.295895D+01
      3  -0.122272D+02  0.722599D+00 -0.295793D+01 -0.452624D+02  0.115553D+02
                21            22            23            24            25 
      1   0.446090D+01  0.196085D+01 -0.408416D+01 -0.354508D+01  0.843890D+01
      2  -0.416034D+01 -0.732193D+01  0.435417D+01  0.275468D+01 -0.239830D+02
      3   0.259826D+01  0.230954D+02 -0.675746D+01 -0.319379D+01  0.108750D+02
                26            27            28            29            30 
      1   0.113145D+01 -0.340607D+01  0.758295D-02  0.830268D+00 -0.353149D+01
      2   0.311785D+01  0.818629D+01 -0.240660D+02  0.344051D+01  0.781090D+01
      3  -0.371937D+01 -0.996563D+01  0.406291D+02 -0.168985D+02 -0.537140D+01
                31            32            33            34            35 
      1   0.219390D+01  0.276117D+00  0.170693D+01 -0.611280D+01  0.987324D+01
      2   0.110756D+02 -0.330331D+01 -0.373310D+01  0.334448D+01 -0.299763D+01
      3  -0.168023D+02  0.714328D+01 -0.119640D+01 -0.141486D+02  0.171538D+01
                36            37            38            39            40 
      1   0.379953D+01 -0.296724D+00  0.232411D+00  0.150182D+01  0.101085D+01
      2  -0.623788D+01 -0.286869D+01  0.211420D+01 -0.836903D+01  0.328671D+01
      3   0.775379D+01 -0.233225D+02  0.156642D+01 -0.146285D+01  0.138102D+02
                41            42            43            44            45 
      1   0.329060D+01 -0.310134D+01  0.617178D+01  0.761501D+00 -0.527610D+01
      2  -0.540986D+01  0.537969D+01 -0.322254D+02  0.551173D+01  0.201559D+02
      3   0.225924D+02  0.537717D+01 -0.294282D+01  0.656849D+01 -0.112989D+02
                46            47            48            49            50 
      1   0.337527D+01  0.145902D+00 -0.468218D+01  0.158229D+01 -0.171482D+01
      2   0.649978D+01 -0.158827D+01 -0.392543D+01 -0.168431D+01 -0.310295D+00
      3  -0.977424D+01 -0.633657D+01 -0.518989D+01  0.961869D+01 -0.377941D+01
                51            52            53            54            55 
      1   0.212940D+01 -0.116918D+02  0.118317D+02 -0.224000D+01 -0.213284D+01
      2   0.464081D+01 -0.141830D+02  0.784455D+01 -0.268578D+01 -0.312094D+01
      3   0.264452D+01 -0.691531D+01  0.743686D+01 -0.286032D+01  0.957429D+01
                56            57            58            59            60 
      1  -0.772844D+00  0.256497D+01  0.329431D+00 -0.736211D+01 -0.516454D+01
      2  -0.417815D+00  0.181940D+01 -0.237699D+01  0.108897D+01 -0.798332D+00
      3   0.523197D+01  0.467324D+01  0.119410D+02 -0.534901D+01  0.389704D+00
                61            62            63            64            65 
      1   0.307973D+01  0.273688D+01  0.127800D+02  0.844108D-01  0.233013D+01
      2  -0.221082D+01 -0.120246D+01  0.303886D+01  0.261663D+02 -0.231709D+01
      3   0.498126D+01 -0.632364D-01 -0.116105D+01 -0.647695D+01 -0.995460D+01
                66            67            68            69            70 
      1   0.184496D+01 -0.439264D+01  0.244750D+01 -0.455758D+01 -0.173489D+01
      2   0.118098D+02  0.590825D+01  0.377400D+01  0.331679D+01  0.830900D+01
      3  -0.246590D-01 -0.127343D+02  0.823130D+01 -0.279844D+01 -0.940038D+01
                71            72            73            74            75 
      1   0.490230D+01 -0.248461D+00 -0.129302D+01 -0.443729D+00  0.116341D+01
      2   0.415927D+01 -0.646793D+00  0.528759D+01 -0.114285D+01  0.476472D+00
      3  -0.178808D+01 -0.552164D+01 -0.393854D+01 -0.827866D+00  0.115577D+01
                76            77            78            79            80 
      1   0.282912D+00  0.166894D+00 -0.481828D+00  0.183396D+01  0.332770D+01
      2  -0.369988D+01 -0.791927D+00 -0.123874D+01 -0.295796D+01 -0.932950D+00
      3   0.668575D+01 -0.390958D+00  0.392814D+00  0.132701D+01  0.165642D+01
                81            82            83            84            85 
      1  -0.229912D+01  0.769411D+00 -0.290507D-01 -0.168772D+01  0.137815D+00
      2  -0.235422D+01  0.225185D+01 -0.689691D+00  0.190054D+01 -0.368566D+00
      3  -0.790180D+00  0.207140D+01 -0.159722D+01 -0.243732D+00  0.295899D+01
                86            87            88            89            90 
      1  -0.125880D+01 -0.250214D+01 -0.102741D+01  0.396097D+00  0.290541D+01
      2  -0.945867D+00  0.116138D+01 -0.188878D+01  0.253585D+00 -0.216314D+01
      3  -0.390550D+01  0.130033D+01 -0.549728D+00  0.173284D+01 -0.257468D-01
                91            92            93            94            95 
      1  -0.701707D+00  0.115376D+01 -0.445034D+00  0.103210D+01  0.616172D+01
      2   0.269835D+00 -0.140456D+01 -0.148865D+00 -0.151033D+01 -0.539179D+00
      3  -0.374828D+00  0.273456D+00  0.953176D+00  0.421600D+01 -0.731216D+01
                96            97            98            99           100 
      1  -0.407594D+01 -0.395783D+01  0.947417D+00  0.998648D+00 -0.873734D+00
      2   0.143890D+01 -0.230903D+01 -0.493870D-01 -0.707549D+00  0.160661D+01
      3  -0.925373D+00  0.546386D+01 -0.901238D+00  0.432144D+00 -0.359308D+01
               101           102           103           104           105 
      1  -0.436109D+00 -0.156412D+00 -0.581802D+00 -0.224490D+01 -0.386947D+01
      2   0.396553D+00  0.146306D+01  0.230247D+00  0.177879D+01  0.401295D+01
      3  -0.220687D+01  0.467715D+00 -0.476477D+01 -0.272149D+02 -0.200319D+01
               106           107           108           109           110 
      1  -0.132149D+00 -0.235385D+00 -0.445553D+00 -0.590647D+00  0.888117D+00
      2   0.165694D+01  0.278237D+01 -0.735384D-01  0.833868D+01 -0.205823D+01
      3   0.341961D-01 -0.308402D+01 -0.216923D+01  0.154585D+02 -0.779885D+01
               111           112           113           114           115 
      1  -0.109846D+01  0.258647D+00 -0.100255D+01 -0.152610D+00 -0.161535D+01
      2   0.873638D+01 -0.299150D+01  0.326863D+01 -0.401900D+01  0.111690D+02
      3   0.432575D+01 -0.849374D+01  0.488937D+01 -0.382943D+01  0.610603D+01
               116           117           118           119           120 
      1   0.163493D+01 -0.897483D+00  0.218356D+01 -0.718338D+00 -0.179910D+01
      2  -0.313929D+01  0.562866D+01 -0.674722D+01 -0.446884D+00  0.771782D+01
      3  -0.567540D+01  0.573844D+01  0.636531D+01 -0.225857D+01 -0.230634D+01
               121           122           123           124           125 
      1  -0.981258D+00  0.101065D+01  0.575661D+00 -0.341513D+01  0.318300D+01
      2   0.172288D+01 -0.313802D+01 -0.348543D+01  0.160478D+02 -0.140581D+01
      3  -0.310826D+01  0.132866D+00  0.342591D+01 -0.371144D+01  0.451125D+01
               126           127           128           129           130 
      1   0.719069D+01 -0.467815D+01  0.113433D+01  0.378721D+01  0.947957D+00
      2  -0.278362D+02 -0.499240D+01  0.283958D+01  0.546717D+01  0.185180D+01
      3   0.628564D+01 -0.400178D+01 -0.412212D+01  0.182059D+01  0.472644D+00
               131           132           133           134           135 
      1  -0.151497D+01 -0.288945D+01  0.502851D+01 -0.161398D+01 -0.459756D+01
      2  -0.268761D+01 -0.327720D+01  0.413303D+01 -0.474284D+01 -0.648061D+01
      3   0.596903D+00  0.980409D+00  0.483038D+01  0.219284D+01  0.103813D+00
               136           137           138           139           140 
      1   0.191010D+01 -0.100710D+01  0.230785D+01 -0.958530D+00  0.221246D+01
      2   0.157417D+01 -0.743790D+00  0.365005D+01 -0.443474D+00  0.331971D+01
      3   0.118071D+01 -0.143251D+01  0.378829D-01 -0.629785D+00  0.648973D+01
               141           142           143           144           145 
      1  -0.446297D+01  0.581098D+01 -0.396172D+01  0.813068D+01 -0.258123D+01
      2  -0.389382D+01  0.389885D+01 -0.574430D+01  0.928104D+01 -0.629259D+00
      3  -0.320513D+01  0.418324D+00 -0.878842D+01  0.296316D+01 -0.148613D+00
               146           147           148           149           150 
      1   0.836673D+00 -0.176880D+01  0.108148D+01 -0.183406D+01  0.157194D+01
      2   0.456751D+00 -0.242032D+00  0.169398D+01 -0.148850D+01  0.913213D+00
      3  -0.266732D+01  0.187307D+01 -0.178190D+01  0.871065D+00  0.165123D+00
               151           152           153           154           155 
      1  -0.227032D+01  0.204865D+01 -0.160281D+02  0.103881D+01  0.442180D+00
      2  -0.408834D+01  0.156932D+00 -0.372656D+01  0.545493D+00 -0.610674D+00
      3   0.416061D+01 -0.514169D+00  0.132929D+01  0.828920D+00  0.168994D+01
               156           157           158           159           160 
      1  -0.611819D+00 -0.600411D-01  0.482139D+01 -0.435837D+01 -0.752239D+00
      2   0.925050D+00 -0.113751D+01 -0.807692D+00 -0.240117D+00 -0.618019D+00
      3  -0.847381D+00  0.677577D+01  0.535229D+01  0.225237D+00 -0.145569D+01
               161           162           163           164           165 
      1  -0.166832D+01 -0.409839D+00 -0.164736D+01 -0.675377D+01 -0.260873D+01
      2  -0.364684D+00 -0.598624D+00 -0.158952D+02 -0.247620D+01  0.733233D+01
      3  -0.639380D+00  0.121773D+01 -0.389010D+01  0.280693D+01  0.402202D+01
               166           167           168           169           170 
      1  -0.102481D+02  0.805324D+01 -0.119201D+02 -0.367756D+01 -0.435276D+01
      2  -0.352566D+01  0.167429D+01 -0.352548D+01  0.131743D+00 -0.315825D+01
      3   0.103409D+02 -0.638061D+01  0.593027D+01  0.502912D+01  0.398620D+01
               171           172           173           174           175 
      1  -0.620307D+01 -0.975582D+00  0.117492D+01 -0.462603D+00  0.272001D+01
      2   0.167163D+01 -0.137739D+02 -0.328429D+01 -0.556048D+01 -0.488639D+01
      3   0.642555D+01  0.460443D+01  0.125612D+02  0.429862D+01  0.272216D+02
               176           177           178           179           180 
      1  -0.262948D+01 -0.275652D+01 -0.471388D+00  0.137269D+01  0.330626D+01
      2  -0.444392D+01 -0.111509D+02 -0.165538D+02 -0.105050D+02  0.164855D+02
      3  -0.160428D+02  0.131747D+01  0.655610D+01  0.180006D+01  0.112278D+02
               181           182           183           184           185 
      1   0.235809D+00 -0.223517D+01 -0.103584D+01 -0.148235D+01 -0.923401D-01
      2   0.192736D+02  0.108284D+01 -0.416130D+01  0.973238D+00  0.209601D+01
      3   0.674705D+01 -0.378179D+00 -0.153367D+01  0.234939D+01  0.104081D+01
               186           187           188           189           190 
      1   0.369550D+00 -0.103240D+01  0.200869D+01  0.969825D+00  0.403512D+01
      2  -0.352720D+00 -0.634327D+01 -0.583769D+00  0.418746D+01  0.230518D+00
      3  -0.922040D+00 -0.110983D+01 -0.140887D+00  0.111422D+01 -0.297574D+01
               191           192           193           194           195 
      1   0.397756D+01  0.336493D+01  0.457501D+01  0.577490D+01  0.512195D+01
      2  -0.701661D+00  0.259150D+01 -0.122958D+01  0.119730D+01  0.445768D+01
      3  -0.381742D+01 -0.302102D+01 -0.295434D+01 -0.440439D+01 -0.447933D+01
               196           197           198           199           200 
      1   0.415349D+01  0.577905D+01  0.740360D+01 -0.251678D+01  0.416574D+01
      2  -0.164884D+01  0.153340D+01  0.601583D+01 -0.523857D+00  0.161402D+01
      3  -0.216584D+01 -0.365227D+01 -0.487896D+01  0.156761D+01 -0.353918D+01
               201           202           203           204           205 
      1   0.780019D+00  0.550868D+01 -0.129707D+02  0.742230D+00  0.169034D-01
      2   0.163180D+01  0.310970D+01  0.374868D+00 -0.309535D+01 -0.530748D+00
      3   0.610546D+00 -0.834722D+00  0.114222D+02 -0.413338D+01 -0.229124D+00
               206           207           208           209           210 
      1   0.208022D+01 -0.122555D+01 -0.828795D+00 -0.333153D+00  0.398984D+00
      2  -0.977187D+00  0.337596D+00 -0.433701D+01  0.128417D+00  0.337116D+01
      3  -0.133740D+01  0.105484D+01 -0.229283D+01 -0.195184D+01  0.851374D+00
               211           212           213           214           215 
      1  -0.337620D+00 -0.125531D+01  0.306235D+00  0.798873D+00  0.374695D+01
      2  -0.237316D+00 -0.319862D+01  0.649667D+01  0.404348D+01  0.541690D+01
      3  -0.224472D+01 -0.224235D+01  0.417907D+01  0.107738D+01  0.507937D+01
               216           217           218           219           220 
      1  -0.271885D+01  0.101771D+01 -0.102393D+01  0.831179D+00 -0.133720D+01
      2  -0.236740D+02  0.212774D+01 -0.639517D+00  0.298698D+01 -0.352501D+00
      3  -0.642477D+01  0.638944D+01 -0.839884D+01 -0.654751D+00 -0.115429D+02
               221           222           223           224           225 
      1   0.342510D+01 -0.300946D+01  0.459938D+00  0.305297D+00  0.477137D-01
      2   0.176879D+01 -0.418695D+01  0.292962D+01 -0.214099D+01 -0.967979D+00
      3   0.248954D+02  0.229372D+00 -0.133915D+01 -0.241534D+00  0.185530D+01
               226           227           228           229           230 
      1  -0.765865D-02  0.602664D-02 -0.565824D+00 -0.407594D+00  0.993434D-01
      2   0.105755D+02  0.340473D+01  0.813777D+01  0.544852D+01  0.500846D+01
      3  -0.947730D+01 -0.823787D+01 -0.328295D+01 -0.103600D+02 -0.778776D+01
               231           232           233           234 
      1  -0.139007D+01  0.145855D+00  0.959867D+00 -0.689360D+00
      2   0.695402D+01  0.851469D+01  0.488630D+01  0.823395D+01
      3  -0.417560D+01 -0.529065D+01 -0.595103D+01 -0.526551D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.306787D+01 -0.120797D+00 -0.781172D+01  0.451655D+01 -0.394656D+01
      2   0.831672D+01 -0.193055D+01 -0.125987D+01 -0.254850D+01  0.610779D+01
      3  -0.113846D+02  0.205135D+01  0.907160D+01 -0.196805D+01 -0.216123D+01
      4   0.135847D+02  0.203716D+01 -0.166494D+01 -0.174237D+01 -0.617375D+00
      5   0.128244D+01 -0.304230D+01 -0.914462D+01  0.201756D+01 -0.143958D+01
      6  -0.361071D+00 -0.498572D+00  0.261457D+01  0.478269D+00  0.767975D+01
                 6             7             8             9            10 
      1   0.546768D+01 -0.213881D+02  0.143945D+01  0.965356D+01 -0.774692D+01
      2   0.678984D+00  0.451771D+00  0.399947D+01  0.732613D+01  0.519433D+01
      3  -0.614667D+01  0.209364D+02 -0.543892D+01 -0.169797D+02  0.255260D+01
      4  -0.131894D+01 -0.400500D+01  0.373345D+01  0.734738D+01  0.390562D+01
      5   0.280245D+01 -0.131011D+02  0.493268D+01  0.114192D+02  0.380518D+00
      6  -0.129811D+01  0.836488D+01 -0.211336D+01 -0.963834D+01  0.350606D+01
                11            12            13            14            15 
      1   0.797952D+01 -0.510921D+01  0.718439D+01 -0.105748D+02 -0.127666D+01
      2  -0.624828D+00  0.518027D+01 -0.263730D+01  0.126731D+02  0.345807D+01
      3  -0.735469D+01 -0.710632D-01 -0.454709D+01 -0.209834D+01 -0.218141D+01
      4  -0.527908D+01  0.741341D+01 -0.699895D+01  0.163331D+01  0.675640D+01
      5   0.707785D+01 -0.458495D+01  0.197072D+01  0.441492D+01 -0.341180D+01
      6   0.478771D+01 -0.568311D+01  0.650149D+01  0.430301D+01 -0.379854D+01
                16            17            18            19            20 
      1  -0.798044D+01  0.662304D+01 -0.268626D+01 -0.491756D+02  0.129431D+02
      2   0.651361D+01 -0.199185D+01  0.101526D+01  0.190249D+02 -0.983316D+01
      3   0.146683D+01 -0.463120D+01  0.167100D+01  0.301507D+02 -0.310989D+01
      4   0.109010D+02  0.609877D+01 -0.378478D+01 -0.131362D+02 -0.684892D+01
      5  -0.552853D+01 -0.267752D+01  0.435227D+01 -0.109806D+01  0.128802D+01
      6  -0.529099D+01 -0.617797D+01  0.722521D+01  0.484237D+01 -0.156095D+01
                21            22            23            24            25 
      1   0.474219D+01  0.270874D+02  0.573278D+01 -0.233946D+01  0.171466D+02
      2  -0.276669D+00 -0.216221D+02 -0.203067D+02 -0.366667D+01 -0.119414D+01
      3  -0.446552D+01 -0.546534D+01  0.145739D+02  0.600613D+01 -0.159524D+02
      4   0.146912D+01 -0.147000D+01 -0.111326D+02 -0.136867D+01  0.282752D+01
      5  -0.260063D+01 -0.404679D+01 -0.285590D+01  0.314252D+01  0.217598D+01
      6  -0.567231D+01 -0.517135D+01 -0.828998D+01  0.588753D+01 -0.114675D+02
                26            27            28            29            30 
      1  -0.371258D+01 -0.235847D+02  0.647694D+02 -0.224660D+02 -0.134650D+02
      2  -0.471266D+01  0.841173D-01 -0.341107D+02  0.113182D+02  0.258902D+01
      3   0.842524D+01  0.235006D+02 -0.306588D+02  0.111478D+02  0.108760D+02
      4   0.401804D+01  0.214010D+01  0.266478D+01  0.517584D+01  0.164365D+01
      5   0.357043D+01  0.102770D+02 -0.115764D+01  0.328648D+01  0.119958D+02
      6   0.123124D+02  0.117914D+02 -0.435602D+01  0.627827D+01  0.568591D+01
                31            32            33            34            35 
      1  -0.233440D+02  0.880846D+01  0.238802D+01 -0.143406D+02  0.500604D+01
      2   0.938949D+01  0.364523D+01  0.173144D+01  0.416045D+01 -0.165562D+01
      3   0.139545D+02 -0.124537D+02 -0.411946D+01  0.101801D+02 -0.335042D+01
      4   0.123299D+02  0.319652D+01 -0.199262D+00  0.901216D+00  0.855789D+00
      5  -0.187247D+01  0.320781D+01 -0.536843D+01  0.231209D+02 -0.463821D+01
      6   0.616654D+01 -0.499819D+01 -0.332187D+01  0.535827D+01  0.221505D+01
                36            37            38            39            40 
      1   0.103609D+02 -0.599680D+02  0.232790D+02 -0.104169D+02  0.330410D+02
      2  -0.116230D+02  0.371138D+02 -0.133600D+02  0.319040D+01 -0.242717D+02
      3   0.126213D+01  0.228542D+02 -0.991908D+01  0.722654D+01 -0.876935D+01
      4  -0.775217D+00  0.112637D+02  0.194296D+01  0.336991D+01 -0.605529D+01
      5  -0.418370D+01 -0.136740D+02  0.361909D+01 -0.208776D+02  0.483161D+01
      6  -0.655538D+01  0.509645D+00 -0.404071D+00 -0.285938D+01 -0.716417D+00
                41            42            43            44            45 
      1   0.653819D+01  0.723363D+01 -0.173909D+02  0.699371D+01 -0.278557D+02
      2  -0.199999D+02 -0.484526D+01  0.188988D+01 -0.571630D+01  0.264110D+02
      3   0.134617D+02 -0.238837D+01  0.155010D+02 -0.127741D+01  0.144464D+01
      4  -0.381016D+02 -0.787383D+01  0.269727D+01 -0.889642D+01  0.339031D+01
      5  -0.997580D+01  0.107759D+02 -0.483029D+02  0.100710D+02  0.339628D+02
      6  -0.252069D+01  0.242492D+01 -0.793454D+01  0.182827D+01  0.744730D+01
                46            47            48            49            50 
      1   0.710175D+01  0.691799D+01  0.828033D+01  0.736550D+01 -0.125670D+02
      2  -0.552594D+01 -0.253658D+01 -0.365502D+01 -0.994673D+00  0.977580D+01
      3  -0.157581D+01 -0.438141D+01 -0.462531D+01 -0.637083D+01  0.279122D+01
      4   0.149124D+02 -0.154191D+02 -0.666635D+01 -0.233490D+02  0.569111D+01
      5   0.107998D+02 -0.439429D+01 -0.133385D+02  0.918698D+00 -0.369496D+01
      6  -0.891446D+01 -0.228658D+01  0.110045D+02 -0.559418D+01  0.881184D+01
                51            52            53            54            55 
      1  -0.132637D+01  0.855460D+01 -0.440886D+01 -0.585015D+01 -0.109971D+02
      2   0.191505D+01 -0.425424D+01  0.346611D+01  0.816959D+00  0.901410D+01
      3  -0.588683D+00 -0.430035D+01  0.942751D+00  0.503319D+01  0.198302D+01
      4  -0.194148D+01 -0.157186D+01 -0.851224D+01  0.224552D+02  0.928500D+00
      5   0.107552D+02 -0.239687D+02  0.192679D+02 -0.583366D+01 -0.114860D+01
      6  -0.107936D+02  0.193731D+02 -0.205824D+02  0.981125D+01  0.726688D+01
                56            57            58            59            60 
      1   0.180655D+01 -0.740508D+00 -0.189964D+01  0.294297D+02 -0.181111D+01
      2  -0.617627D+01  0.115795D+01 -0.116718D+01 -0.501189D+02 -0.109797D+01
      3   0.436972D+01 -0.417442D+00  0.306682D+01  0.206893D+02  0.290908D+01
      4   0.142101D+01  0.271012D+01  0.576102D+01  0.333134D+01 -0.610275D+00
      5   0.147131D+01  0.315414D+00 -0.760662D+00 -0.119513D+01 -0.163560D+00
      6  -0.202700D+00 -0.227265D+01 -0.265895D+00 -0.313978D+01  0.435622D+01
                61            62            63            64            65 
      1  -0.107059D+01 -0.202709D+01  0.108706D+02  0.425717D+01 -0.318429D+01
      2   0.110562D+01  0.518596D+01  0.756718D+01 -0.840792D+01  0.327220D+00
      3  -0.350271D-01 -0.315887D+01 -0.184378D+02  0.415074D+01  0.285707D+01
      4  -0.670376D-01  0.305882D+00 -0.485206D+01 -0.736384D+01  0.822126D+01
      5   0.384946D+01 -0.167631D+01  0.430657D+00  0.156487D+02 -0.117833D+01
      6  -0.348099D+01  0.376389D+01 -0.161051D+02 -0.454030D+01  0.269663D+01
                66            67            68            69            70 
      1   0.154347D+02 -0.598719D+01  0.146366D+02 -0.102780D+01  0.225342D+02
      2  -0.977551D+01  0.217871D+01 -0.678501D+01 -0.103021D+01 -0.135785D+02
      3  -0.565919D+01  0.380849D+01 -0.785157D+01  0.205801D+01 -0.895564D+01
      4  -0.315099D+01  0.167828D+02 -0.149194D+02  0.303405D+01 -0.546157D+01
      5   0.946350D+01  0.811421D-01  0.486423D+01  0.448955D+01  0.150559D+02
      6   0.179410D+00  0.679980D-01 -0.408301D+01  0.149165D+01 -0.277647D+01
                71            72            73            74            75 
      1  -0.233335D+01  0.531358D+01 -0.145806D+01  0.654283D-02  0.359875D+01
      2  -0.968296D+00 -0.702997D+01 -0.540010D+01  0.149734D+01  0.412883D+01
      3   0.330164D+01  0.171640D+01  0.685815D+01 -0.150388D+01 -0.772758D+01
      4   0.162744D+01  0.308297D+01 -0.595128D+01  0.440454D+01  0.366712D+01
      5   0.449253D+01 -0.544934D+01 -0.806590D+01  0.342818D+01  0.122195D+02
      6   0.271555D+01  0.207161D+01  0.459570D+01 -0.229896D+01 -0.377844D+01
                76            77            78            79            80 
      1   0.353582D+01 -0.683079D+01 -0.720957D+01  0.568536D+01 -0.748294D+01
      2  -0.569317D+00  0.108134D+01 -0.311001D+00  0.582343D+01 -0.250228D+01
      3  -0.296651D+01  0.574945D+01  0.752057D+01 -0.115088D+02  0.998521D+01
      4   0.428278D+01 -0.219709D+01 -0.390274D+01  0.472644D+01 -0.409559D+01
      5   0.341865D+01 -0.399748D+01 -0.445890D+01  0.131102D+02 -0.599975D+01
      6  -0.271170D+01  0.597576D+01  0.104188D+02 -0.440208D+01  0.100627D+02
                81            82            83            84            85 
      1  -0.260635D+02  0.593520D+01 -0.142275D+01  0.501383D+00 -0.120189D+01
      2  -0.146809D+02 -0.190950D+01  0.272764D+01 -0.235042D+00  0.323702D+01
      3   0.407444D+02 -0.402570D+01 -0.130489D+01 -0.266342D+00 -0.203513D+01
      4  -0.734665D+01  0.111675D+02  0.119219D+02 -0.796418D+01  0.108875D+02
      5  -0.189989D+02 -0.728600D+01 -0.643972D+01  0.823580D+01 -0.525518D+01
      6   0.166290D+02 -0.783258D+01 -0.660561D+01  0.637764D+01 -0.678239D+01
                86            87            88            89            90 
      1  -0.106374D+02  0.510600D+01  0.351287D+00  0.501633D+01 -0.690065D+01
      2   0.140177D+02 -0.515953D+01  0.475798D-01 -0.410484D+01  0.280994D+00
      3  -0.338039D+01  0.535263D-01 -0.398867D+00 -0.911488D+00  0.661966D+01
      4   0.162401D+02 -0.906313D+01 -0.824817D+01 -0.962362D+01  0.997422D+01
      5  -0.751198D+01  0.572218D+01  0.771513D+01  0.728187D+01 -0.967344D+01
      6  -0.149700D+02  0.123508D+02  0.746204D+01  0.134047D+02 -0.140197D+02
                91            92            93            94            95 
      1  -0.293248D+01  0.114454D+01  0.166374D+01  0.107519D+01 -0.331270D+02
      2   0.434776D+01  0.238160D+01 -0.506944D+00  0.210568D+01  0.480727D+02
      3  -0.141528D+01 -0.352614D+01 -0.115680D+01 -0.318086D+01 -0.149457D+02
      4   0.303548D+01  0.984320D+01  0.131627D+01  0.876150D+01  0.195537D+02
      5   0.102080D+01  0.177030D+01  0.163273D+01  0.229429D+01  0.516386D+01
      6   0.372683D+01  0.124405D+00  0.109857D+00  0.134835D+01  0.160369D+02
                96            97            98            99           100 
      1  -0.679674D+01  0.293549D+01 -0.346700D+01 -0.169323D+01  0.395292D+01
      2   0.647649D+01 -0.277519D+01  0.325440D+01  0.360569D+01  0.148551D+01
      3   0.320254D+00 -0.160299D+00  0.212594D+00 -0.191246D+01 -0.543843D+01
      4   0.335508D+01  0.127587D+01  0.897831D-01  0.100532D+01  0.748253D+01
      5   0.317415D+01  0.203354D+01  0.124612D+01 -0.127541D+00  0.300330D+01
      6   0.946215D+01  0.317986D+01  0.566997D+01  0.195641D+01  0.870676D+00
               101           102           103           104           105 
      1   0.650609D+01  0.299881D+01  0.868476D+01 -0.750271D+01 -0.916557D+00
      2  -0.189554D+01 -0.118647D+01  0.461051D+01  0.314359D+02  0.192974D+01
      3  -0.461056D+01 -0.181234D+01 -0.132953D+02 -0.239332D+02 -0.101318D+01
      4   0.983843D+01  0.934003D+00  0.263594D+02  0.561671D+02  0.370700D+01
      5   0.249931D+00  0.287611D+01  0.857488D+00  0.469837D+01  0.762797D+01
      6   0.179047D+00  0.170509D+00  0.428573D+00  0.301692D+00  0.646801D+01
               106           107           108           109           110 
      1   0.493134D+01 -0.979566D+00  0.529392D+00  0.842679D+02 -0.128623D+02
      2  -0.125626D+01  0.268187D+01  0.665784D+00 -0.463258D+02  0.827274D+01
      3  -0.367508D+01 -0.170230D+01 -0.119518D+01 -0.379421D+02  0.458952D+01
      4   0.317325D+01  0.657553D+01  0.623927D+01 -0.221944D+01  0.100824D+02
      5   0.708569D+01  0.605072D+01 -0.194220D-01  0.262081D+02 -0.492238D+01
      6   0.245964D+01  0.655742D+01  0.125294D+01  0.138806D+01 -0.167429D+00
               111           112           113           114           115 
      1   0.194952D+02 -0.340751D+02  0.108037D+02 -0.532303D+01  0.377859D+02
      2  -0.113177D+02  0.197268D+02 -0.458359D+01  0.398142D+01 -0.213020D+02
      3  -0.817750D+01  0.143483D+02 -0.622007D+01  0.134161D+01 -0.164839D+02
      4  -0.237331D+01  0.115465D+02 -0.626309D+01  0.640735D+01 -0.536474D+00
      5   0.175945D+02 -0.821334D+01  0.758226D+01 -0.800335D+01  0.309328D+02
      6   0.196288D+01  0.151640D+01 -0.381992D+00  0.621337D+00  0.292383D+01
               116           117           118           119           120 
      1  -0.503615D+01  0.190348D+02  0.266502D+02 -0.285138D+01 -0.120015D+02
      2   0.432793D+01 -0.151602D+02 -0.185439D+02  0.200043D+01  0.931617D+01
      3   0.708219D+00 -0.387453D+01 -0.810629D+01  0.850946D+00  0.268537D+01
      4   0.841094D+01 -0.301433D+01  0.253980D+01  0.314846D+01 -0.231469D+01
      5  -0.653256D+01  0.141928D+02 -0.161797D+02 -0.151484D+00  0.190772D+02
      6   0.104350D+01  0.471874D+00 -0.320068D+01 -0.618464D+00  0.305445D+01
               121           122           123           124           125 
      1  -0.133898D+02  0.156425D+01  0.232188D+01 -0.229928D+02 -0.185065D+01
      2   0.971814D+01 -0.874711D+00 -0.388040D+01  0.209028D+02 -0.102345D+01
      3   0.367168D+01 -0.689544D+00  0.155852D+01  0.208999D+01  0.287410D+01
      4   0.591218D+01  0.163603D+01 -0.635171D+01 -0.851367D+01 -0.898925D+01
      5   0.393401D+01 -0.646372D+01 -0.639940D+01  0.409034D+02 -0.238326D+01
      6  -0.179705D+01 -0.211663D+00  0.326285D+01  0.768385D+01  0.406281D+01
               126           127           128           129           130 
      1   0.140032D+02  0.222417D+02 -0.657636D+01 -0.938202D+01 -0.457260D+01
      2  -0.253913D+02 -0.902718D+01 -0.135293D+00  0.468183D+01 -0.207999D+01
      3   0.113880D+02 -0.132145D+02  0.671165D+01  0.470019D+01  0.665260D+01
      4   0.168839D+01 -0.233546D+02  0.174765D+02  0.100525D+02  0.159553D+02
      5  -0.544972D+02 -0.173662D+02  0.681353D+01  0.126576D+02  0.540885D+01
      6  -0.116041D+02  0.924155D+01 -0.453426D+01 -0.690822D+01 -0.450967D+01
               131           132           133           134           135 
      1   0.195104D+01  0.222847D+00 -0.118808D+02  0.621731D+00  0.363429D+01
      2   0.402375D+01  0.227213D+01  0.685407D+01  0.189155D+01 -0.406266D+01
      3  -0.597479D+01 -0.249498D+01  0.502676D+01 -0.251329D+01  0.428369D+00
      4  -0.138254D+02 -0.757298D+01  0.141104D+02 -0.116738D+02 -0.140801D+02
      5  -0.692043D+01 -0.647741D+01  0.183173D+02 -0.113657D+02 -0.155521D+02
      6   0.611300D+01  0.727922D+01 -0.111728D+02  0.105782D+02  0.955427D+01
               136           137           138           139           140 
      1   0.605704D+01 -0.485093D+01  0.329398D+01 -0.105031D+01 -0.472900D+01
      2  -0.218173D+01  0.768404D+00 -0.231054D+01 -0.296086D+01  0.919483D+01
      3  -0.387530D+01  0.408252D+01 -0.983440D+00  0.401118D+01 -0.446583D+01
      4  -0.135606D+02  0.126820D+02 -0.611464D+01  0.137627D+02 -0.161152D+02
      5   0.800479D+01 -0.486504D+01  0.986674D+01 -0.504794D+01  0.983519D+01
      6  -0.640774D+01  0.437783D+01 -0.567890D+01  0.674110D+01 -0.136613D+02
               141           142           143           144           145 
      1   0.312040D+01  0.385568D+01  0.536766D+01 -0.278724D+01  0.358082D+00
      2  -0.469675D+01 -0.234679D+01 -0.606189D+01 -0.310335D+01 -0.372402D+01
      3   0.157636D+01 -0.150889D+01  0.694239D+00  0.589059D+01  0.336594D+01
      4   0.103603D+02 -0.138832D+02  0.183913D+02 -0.171150D+02  0.566671D+00
      5  -0.836579D+01  0.174750D+02 -0.151876D+02  0.214027D+02  0.101425D+01
      6   0.127677D+02 -0.145328D+02  0.198724D+02 -0.220526D+02  0.114860D+01
               146           147           148           149           150 
      1  -0.816718D+00 -0.905587D+00  0.346751D+00 -0.477777D+01 -0.103756D+01
      2   0.158008D+01 -0.567306D+00  0.107811D+01  0.385976D+01  0.391671D+01
      3  -0.763363D+00  0.147289D+01 -0.142486D+01  0.918014D+00 -0.287915D+01
      4   0.215855D+01  0.191237D+01 -0.338286D+00  0.517162D+00  0.311283D-02
      5  -0.296823D+00  0.551695D+01 -0.174883D+00  0.233524D+00 -0.273196D-01
      6   0.106150D+01  0.142689D+01  0.382197D+00  0.271309D+01  0.257327D+01
               151           152           153           154           155 
      1  -0.881702D+00 -0.643098D+01 -0.192414D+02 -0.177743D+01 -0.324820D+01
      2  -0.143278D+01  0.445645D+01 -0.939903D+01  0.675558D+01  0.475094D+01
      3   0.231448D+01  0.197453D+01  0.286405D+02 -0.497815D+01 -0.150275D+01
      4   0.343959D+01  0.423546D+00  0.250129D+01  0.518898D-01  0.103080D+02
      5   0.375823D+01 -0.510588D+00 -0.657604D+00  0.195391D+00  0.904528D+00
      6   0.145444D+01  0.827498D+01  0.228774D+02 -0.531694D+00  0.404284D+00
               156           157           158           159           160 
      1  -0.316157D+00 -0.172869D+01 -0.475179D+02 -0.234384D+01  0.845431D-01
      2  -0.539495D-01  0.182092D+01  0.796088D+02  0.246549D+01 -0.108107D-01
      3   0.370107D+00 -0.922318D-01 -0.320909D+02 -0.121656D+00 -0.737323D-01
      4  -0.251424D+00  0.758267D+01 -0.249561D+01 -0.731698D-01 -0.957284D+00
      5   0.148434D+01  0.348810D+00  0.715009D+00 -0.243682D+00  0.566821D+00
      6   0.870790D+00  0.285979D+00  0.666851D+01  0.770471D+01  0.781387D+00
               161           162           163           164           165 
      1   0.211882D+01 -0.630106D+01  0.196243D+02 -0.230339D+01 -0.544938D+01
      2  -0.440388D+01  0.620170D+01 -0.305201D+01  0.980810D+01  0.850727D+01
      3   0.228506D+01  0.993596D-01 -0.165723D+02 -0.750471D+01 -0.305789D+01
      4   0.598609D+00 -0.156359D-02 -0.526595D+01 -0.101844D+02  0.755602D+00
      5  -0.553861D+00  0.623114D-03 -0.314467D+01 -0.126525D+01 -0.153715D+02
      6   0.973794D+01  0.111834D+01  0.232268D+01 -0.111642D+02 -0.306102D+01
               166           167           168           169           170 
      1  -0.203887D+01 -0.117918D+01 -0.301160D+00 -0.765203D+01  0.121449D+01
      2   0.143705D+02 -0.604411D+01  0.149124D+02  0.105448D+02  0.104588D+02
      3  -0.123317D+02  0.722329D+01 -0.146112D+02 -0.289276D+01 -0.116733D+02
      4  -0.168837D+02  0.224112D+02 -0.123466D+02  0.455910D+00 -0.681608D+01
      5  -0.357752D+01 -0.188221D+02 -0.132683D+02 -0.206321D+02 -0.105222D+02
      6  -0.151126D+02  0.164333D+02 -0.950276D+01 -0.464721D+01 -0.539693D+01
               171           172           173           174           175 
      1  -0.106040D+02 -0.470391D+01 -0.985309D+01 -0.226865D+02 -0.146667D+02
      2   0.892119D+01 -0.118295D+01  0.926373D+01  0.103926D+02  0.149725D+02
      3   0.168285D+01  0.588686D+01  0.589356D+00  0.122938D+02 -0.305835D+00
      4  -0.777803D+01 -0.861648D+01 -0.254182D+02 -0.610571D+01 -0.417653D+02
      5  -0.821408D+01 -0.249826D+02 -0.619675D+01 -0.901210D+01 -0.100726D+02
      6  -0.126053D+02  0.320973D+00  0.202429D+01 -0.432177D+00  0.340350D+01
               176           177           178           179           180 
      1  -0.247986D+02 -0.997111D+01 -0.301978D+02 -0.977754D+01 -0.803487D+01
      2   0.407922D+01  0.210032D+01  0.111199D+02  0.158465D+01  0.133598D+02
      3   0.207194D+02  0.787079D+01  0.190779D+02  0.819289D+01 -0.532494D+01
      4   0.339280D+02 -0.290262D+01 -0.983894D+01 -0.403839D+01 -0.183514D+02
      5  -0.125924D+01 -0.181943D+02 -0.156855D+02 -0.177883D+02  0.286432D+02
      6  -0.424353D+01 -0.769903D+00 -0.133559D+01  0.127534D+01  0.143814D+01
               181           182           183           184           185 
      1  -0.133568D+02 -0.239046D+01  0.106032D+02 -0.777079D+00 -0.350135D+01
      2   0.399781D+01 -0.272685D-02  0.130053D+01 -0.898474D+00  0.256839D+01
      3   0.935894D+01  0.239319D+01 -0.119037D+02  0.167555D+01  0.932959D+00
      4   0.777336D+01  0.150271D+01 -0.906041D+00  0.334105D+01 -0.124128D+01
      5  -0.125908D+02  0.123919D+00  0.261384D+01 -0.564402D-01  0.530726D+00
      6  -0.192615D+01 -0.375859D+01  0.500710D+01 -0.147626D+01 -0.279190D+01
               186           187           188           189           190 
      1   0.165323D+01  0.745312D+01  0.152812D+01 -0.694663D+01  0.772889D+01
      2  -0.239747D+01  0.581799D+00 -0.116119D+01 -0.278243D+01 -0.124703D+02
      3   0.744244D+00 -0.803492D+01 -0.366935D+00  0.972906D+01  0.474136D+01
      4   0.100094D+01 -0.103287D+01 -0.363094D+00  0.263784D+01  0.422994D+01
      5   0.224159D+01  0.597435D+01  0.161347D+01 -0.308470D+01  0.196271D+02
      6   0.375459D+01  0.312660D+01  0.288108D+01 -0.155465D+01  0.364300D+01
               191           192           193           194           195 
      1   0.334959D+01  0.338569D+01  0.477251D+01 -0.309562D+00 -0.319542D+01
      2  -0.508026D+01 -0.122865D+02 -0.898639D+01 -0.309573D+01 -0.108750D+02
      3   0.173067D+01  0.890078D+01  0.421389D+01  0.340529D+01  0.140705D+02
      4   0.618247D+01  0.231332D+01  0.807098D+01  0.572910D+01  0.791962D+01
      5   0.564330D+01  0.211204D+02  0.123406D+02  0.110364D+02  0.167126D+02
      6   0.583581D+01  0.271044D+01  0.783333D+01  0.795101D+01  0.101040D+02
               196           197           198           199           200 
      1   0.233119D+01 -0.183126D+01 -0.660368D+01  0.412317D+01 -0.365497D+01
      2  -0.123693D+02 -0.616892D+01 -0.206740D+02 -0.776775D-01 -0.263566D+01
      3   0.100381D+02  0.800018D+01  0.272777D+02 -0.404549D+01  0.629063D+01
      4   0.263128D+01  0.534073D+01  0.588466D+01 -0.121124D+02  0.148320D+02
      5   0.201533D+02  0.825101D+01  0.282957D+02  0.870195D+01 -0.768408D+01
      6   0.387785D+01  0.747410D+01  0.789268D+01 -0.703190D+01  0.885730D+01
               201           202           203           204           205 
      1   0.352561D+00 -0.247374D+01 -0.111298D+02  0.676776D+01 -0.856852D+00
      2  -0.214272D+01 -0.552191D+01  0.236954D+02 -0.488733D+01 -0.173985D+01
      3   0.179016D+01  0.799565D+01 -0.125656D+02 -0.188043D+01  0.259670D+01
      4  -0.505751D+01  0.183538D+02 -0.319488D+02  0.110580D+02 -0.189054D+01
      5   0.883110D+01 -0.907253D+01  0.146325D+02 -0.895307D+01  0.642508D+01
      6  -0.426691D+01  0.117988D+02 -0.284871D+02  0.158047D+02 -0.340982D+01
               206           207           208           209           210 
      1   0.380790D+01 -0.211732D+01  0.384914D+01  0.414200D+01 -0.687186D+01
      2  -0.527619D+00  0.373043D+00 -0.479907D+01 -0.269570D+01  0.523119D+01
      3  -0.328028D+01  0.174428D+01  0.949930D+00 -0.144630D+01  0.164067D+01
      4   0.413253D+01 -0.511534D+01  0.417390D+01  0.395705D+01 -0.115728D+01
      5  -0.507024D+01  0.576847D+01 -0.825076D+01 -0.173740D+01  0.111308D+02
      6   0.996498D+01 -0.607612D+01 -0.957042D+00 -0.418813D+00  0.239877D+00
               211           212           213           214           215 
      1   0.746708D+01  0.208217D+01  0.515358D+00 -0.124579D+02  0.146787D+01
      2  -0.535713D+01 -0.138595D+01  0.292641D+01  0.117033D+02  0.220759D+01
      3  -0.210995D+01 -0.696216D+00 -0.344177D+01  0.754644D+00 -0.367545D+01
      4   0.831778D+01  0.289332D+01 -0.767735D+01 -0.175314D+01 -0.841494D+01
      5  -0.468599D+01 -0.742884D+01  0.124182D+02  0.227831D+02  0.979240D+01
      6  -0.185888D+01 -0.226352D+01  0.498568D+01  0.559970D+00  0.469906D+01
               216           217           218           219           220 
      1   0.106482D+01  0.226735D+02 -0.139058D+02  0.124676D+01 -0.242270D+02
      2  -0.184927D+02 -0.661960D+01  0.318266D+01 -0.441325D+00  0.349680D+01
      3   0.174278D+02 -0.160539D+02  0.107231D+02 -0.805432D+00  0.207302D+02
      4   0.100501D+02 -0.200002D+02  0.217079D+02  0.156055D+01  0.385902D+02
      5  -0.470084D+02 -0.458065D+00  0.248346D+01  0.498856D+01  0.586072D+01
      6  -0.176254D+01  0.207686D+01 -0.199260D+01 -0.101067D+01 -0.411675D+01
               221           222           223           224           225 
      1   0.125955D+02  0.233338D+01  0.511676D+01  0.676563D+00  0.356992D+01
      2   0.108184D+02 -0.152685D+01 -0.157598D+01 -0.765112D+00 -0.149428D+01
      3  -0.234139D+02 -0.806530D+00 -0.354078D+01  0.885483D-01 -0.207564D+01
      4  -0.535619D+02 -0.134390D+01  0.906319D+00  0.596457D+00 -0.549435D+01
      5  -0.260194D+01 -0.785296D+01  0.919510D+01 -0.586214D+01 -0.289323D+01
      6   0.672519D+01  0.547346D+01 -0.295672D+01  0.502970D+01  0.406592D+00
               226           227           228           229           230 
      1   0.563995D+02  0.154453D+02  0.161550D+02  0.298491D+02  0.151194D+02
      2  -0.273628D+02 -0.747894D+01 -0.795847D+01 -0.140770D+02 -0.372806D+01
      3  -0.290367D+02 -0.796632D+01 -0.819654D+01 -0.157722D+02 -0.113913D+02
      4   0.180598D+02  0.151068D+02  0.594788D+01  0.252109D+02  0.142510D+02
      5   0.169625D+02  0.535273D+01  0.130619D+02  0.855317D+01  0.725232D+01
      6   0.599761D+00 -0.115256D+00  0.208919D+00  0.607515D+00  0.166839D+01
               231           232           233           234 
      1   0.685369D+01  0.320267D+02  0.656374D+01  0.127336D+02
      2  -0.260513D+01 -0.161610D+02 -0.264338D+01 -0.923697D+01
      3  -0.424855D+01 -0.158657D+02 -0.392037D+01 -0.349662D+01
      4   0.839165D+01  0.971376D+01  0.102246D+02  0.931184D+01
      5   0.113260D+02  0.197938D+02  0.895765D+01  0.148949D+02
      6   0.204596D+01  0.156137D+01  0.164814D+01  0.136812D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117920D+03      0.174740D+02      0.194424D+02
   aniso      0.404657D+02      0.599640D+01      0.667190D+01
   xx         0.143206D+03      0.212210D+02      0.236115D+02
   yx        -0.524042D+01     -0.776551D+00     -0.864029D+00
   yy         0.110802D+03      0.164191D+02      0.182687D+02
   zx        -0.255312D+01     -0.378334D+00     -0.420953D+00
   zy         0.133876D+01      0.198383D+00      0.220731D+00
   zz         0.997528D+02      0.147818D+02      0.164470D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117920D+03      0.174740D+02      0.194424D+02
   aniso      0.404657D+02      0.599640D+01      0.667190D+01
   xx         0.128897D+03      0.191005D+02      0.212522D+02
   yx         0.115946D+02      0.171814D+01      0.191169D+01
   yy         0.104337D+03      0.154611D+02      0.172028D+02
   zx        -0.154096D+02     -0.228346D+01     -0.254069D+01
   zy        -0.424706D+01     -0.629349D+00     -0.700245D+00
   zz         0.120527D+03      0.178603D+02      0.198723D+02

 ----------------------------------------------------------------------
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 WHEN IT COMES TO CASH FLOW, IT SEEMS LIKE THE TIDE IS ALWAYS GOING OUT.
 Job cpu time:       0 days  7 hours 35 minutes 15.5 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 30.7 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 14:50:46 2021.
